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150-25-4 molecular structure
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2-[bis(2-hydroxyethyl)amino]acetic acid

ChemBase ID: 3363
Molecular Formular: C6H13NO4
Molecular Mass: 163.17172
Monoisotopic Mass: 163.0844579
SMILES and InChIs

SMILES:
OCCN(CCO)CC(=O)O
Canonical SMILES:
OCCN(CC(=O)O)CCO
InChI:
InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
InChIKey:
FSVCELGFZIQNCK-UHFFFAOYSA-N

Cite this record

CBID:3363 http://www.chembase.cn/molecule-3363.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[bis(2-hydroxyethyl)amino]acetic acid
IUPAC Traditional name
bicine
Synonyms
Bicine
2-(bis(2-hydroxyethyl)amino)acetic acid
BICINE buffer Solution
PEG Grid Screening Solution 24/Fluka kit no 36436
N,N-Bis(2-hydroxyethyl)glycine
BICINE
BICINE 30% PEG 600 solution
DIHYDROXYETHYLGLYCINE
N,N-bis [2-hydroxyethyl]glycine
BICINE
N,N-Bis(2-hydroxyethyl)glycine
Diethylolglycine
Diethanol glycine
Dihydroxyethylglycine
N,N-Di(2-hydroxyethyl)glycine
N,N-双(2-羟乙基)甘氨酸
N,N-二(2-羟乙基)甘氨酸
CAS Number
150-25-4
EC Number
231-791-2
205-755-1
MDL Number
MFCD00004295
Beilstein Number
1769362
Merck Index
141201
PubChem SID
24892086
46505980
24888105
160966804
24848916
24891738
PubChem CID
8761
CHEBI ID
39066
CHEMBL
1231251
Chemspider ID
8431
DrugBank ID
DB03709
Wikipedia Title
Bicine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 3.0065813  H Acceptors
H Donor LogD (pH = 5.5) -4.369984 
LogD (pH = 7.4) -4.5250278  Log P -4.3707895 
Molar Refractivity 38.6573 cm3 Polarizability 15.1906805 Å3
Polar Surface Area 81.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -1.59  LOG S 0.05 
Solubility (Water) 1.82e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.1 g/mL at 20 °C, clear expand Show data source
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
H2O: soluble1 M, clear, colorless expand Show data source
Soluble in water expand Show data source
Melting Point
190°C expand Show data source
ca 191°C dec. expand Show data source
Density
1.05 g/mL at 20 °C expand Show data source
1.06 g/mL at 20 °C expand Show data source
Absorption Wavelength
A1M/260, H2O ≤0.05 expand Show data source
A1M/280, H2O ≤0.05 expand Show data source
λ: 260 nm Amax: <0.07 expand Show data source
λ: 260 nm Amax: 0.070 expand Show data source
λ: 280 nm Amax: <0.04 expand Show data source
λ: 280 nm Amax: 0.040 expand Show data source
pKa
8.3 expand Show data source
8.3 (20°C) expand Show data source
8.3 (25°C) expand Show data source
pH
4.0-5.5 (25 °C, 1 M in H2O) expand Show data source
4.0-6.0 (1 M in H2O) expand Show data source
5.0±0.2 expand Show data source
9.0±0.2 ( in neat) expand Show data source
Storage Condition
2-8°C expand Show data source
Room Temperature (15-30°C) expand Show data source
RTECS
MB9700000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
~98% expand Show data source
≥99% (titration) expand Show data source
≥99.0% (T) expand Show data source
≥99.5% (T) expand Show data source
98% expand Show data source
99% expand Show data source
Concentration
0.1 M expand Show data source
1 M in H2O expand Show data source
Grade
for molecular biology expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
in accordance for filter test expand Show data source
Ignition Residue
≤0.1% expand Show data source
≤0.5% expand Show data source
Impurities
≤0.005% Phosphorus (P) expand Show data source
≤0.1% Insoluble matter expand Show data source
DNases, none detected expand Show data source
insoluble matter, passes filter test expand Show data source
phosphatases, none detected expand Show data source
proteases, none detected expand Show data source
RNases, none detected expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: <0.001% expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤20 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤0.005% expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤0.0005% expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤0.005% expand Show data source
Na: ≤50 mg/kg expand Show data source
NH4+: ≤0.05% expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤0.001% expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤0.0005% expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.05% expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
chloride (Cl-): ≤500 mg/kg expand Show data source
sulfate (SO42-): ≤0.05% expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Loss on Drying
≤0.1% loss on drying, 20 °C (HV) expand Show data source
≤0.5% loss on drying, 20 °C (HV) expand Show data source
pH Range
7.6 - 9.0 expand Show data source
Quality Level
ELITE expand Show data source
λ
1 M in H2O expand Show data source
neat expand Show data source
Useful pH Range
7.6 - 9.0 expand Show data source
Product Line
BioUltra expand Show data source
Empirical Formula (Hill Notation)
C6H13NO4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02151490 external link
Purity: ~98%
White crystals or powder
Chelating agent
MP Biomedicals - 02101005 external link
pKa = 8.3 at 25°C
Useful pH range 7.6-9.0
DrugBank - DB03709 external link
Drug information: experimental
Sigma Aldrich - 14871 external link
Application
Recommended buffer for low temperature biochemical work.1 Used in the preparation of stable substrate solution for serum guanase determination.2 Spacer in plasma protein fractionation with Sephadex by isotachophoresis.3
BICINE can be used to study biological buffers and zwitterionic compounds. N,N-Bis(2-hydroxyethyl)glycine has been used in a study that characterized refined crystal structures of human Ca2+/Zn2+-binding S100A3 protein. N,N-Bis(2-hydroxyethyl)glycine has also been used in a study to inform F1 antigen assembly.
Sigma Aldrich - 14844 external link
Application
Recommended buffer for low temperature biochemical work.1 Used in the preparation of stable substrate solution for serum guanase determination.2 Spacer in plasma protein fractionation with Sephadex by isotachophoresis.3
Sigma Aldrich - B3876 external link
Application
低温生化作业的推荐缓冲液。1用于制备测定血清鸟嘌呤酶的稳定底物溶液。2采用交联葡聚糖通过等速电泳对血浆蛋白进行分级分离中的间隔臂。3
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. B3876.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Sigma Aldrich - B8660 external link
Application
低温生化作业的推荐缓冲液。1用于制备测定血清鸟嘌呤酶的稳定底物溶液。2采用交联葡聚糖通过等速电泳对血浆蛋白进行分级分离中的间隔臂。3
Sigma Aldrich - 14872 external link
Application
Recommended buffer for low temperature biochemical work.1 Used in the preparation of stable substrate solution for serum guanase determination.2 Spacer in plasma protein fractionation with Sephadex by isotachophoresis.3

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Biological buffer, pK a = 8.35 at 20 o : Biochemistry, 5, 467 (1966).
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PATENTS

PATENTS

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INTERNET

INTERNET

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