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637-39-8 molecular structure
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2-[bis(2-hydroxyethyl)amino]ethan-1-ol hydrochloride

ChemBase ID: 102804
Molecular Formular: C6H16ClNO3
Molecular Mass: 185.64914
Monoisotopic Mass: 185.08187106
SMILES and InChIs

SMILES:
Cl.OCCN(CCO)CCO
Canonical SMILES:
OCCN(CCO)CCO.Cl
InChI:
InChI=1S/C6H15NO3.ClH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H
InChIKey:
HHLJUSLZGFYWKW-UHFFFAOYSA-N

Cite this record

CBID:102804 http://www.chembase.cn/molecule-102804.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[bis(2-hydroxyethyl)amino]ethan-1-ol hydrochloride
IUPAC Traditional name
TEA hydrochloride
triethanolamine hydrochloride
Synonyms
2,2',2''-Nitrilotriethanol hydrochloride
Tris(2-hydroxyethyl)amine hydrochloride
TRIETHANOLAMINE HYDROCHLORIDE
2,2′,2′′-Nitrilotriethanol hydrochloride
Triethanolamine hydrochloride
2,2',2''-次氮基三乙醇 盐酸盐
三(2-羟乙基)胺 盐酸盐
三乙醇胺 盐酸盐
三乙醇胺盐酸盐
CAS Number
637-39-8
EC Number
211-284-2
MDL Number
MFCD00012596
Beilstein Number
3909940
Merck Index
149665
PubChem SID
24900428
162088289
24899972
PubChem CID
101814

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.115809  H Acceptors
H Donor LogD (pH = 5.5) -4.7145576 
LogD (pH = 7.4) -2.9557004  Log P -1.8801366 
Molar Refractivity 38.865 cm3 Polarizability 15.211721 Å3
Polar Surface Area 63.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 M, clear, colorless expand Show data source
Melting Point
177-179 °C(lit.) expand Show data source
177-179°C expand Show data source
177-179°C expand Show data source
178°C expand Show data source
178-182 °C expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.05 expand Show data source
pKa
7.8 (25°C) expand Show data source
pH
4.0-5.5 (25 °C, 50 mg/mL in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
KL9346500 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
Safety Statements
22 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
~99% expand Show data source
≥99% expand Show data source
≥99.0% (AT) expand Show data source
≥99.5% (titration) expand Show data source
99+% expand Show data source
Grade
puriss. p.a. expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.01% (as SO4) expand Show data source
≤0.1% expand Show data source
Impurities
≤0.005% Phosphorus (P) expand Show data source
≤0.1% Insoluble matter expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Ca: ≤0.0005% expand Show data source
Ca: ≤10 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
Mg: ≤0.0005% expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤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
Zn: ≤0.0005% expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
sulfate (SO42-): ≤0.05% expand Show data source
Useful pH Range
7.3 - 8.3 expand Show data source
Product Line
BioXtra expand Show data source
Linear Formula
(HOCH2CH2)3N · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05219270 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02103109 external link
Crystalline
Purity: Approx. 99%
NOT FOR EXPORT
Sigma Aldrich - T1502 external link
Packaging
1 kg in poly bottle
100, 250, 500 g in poly bottle
Sigma Aldrich - 158917 external link
Packaging
100, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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