Home > Compound List > Compound details
107-97-1 molecular structure
click picture or here to close

2-(methylamino)acetic acid

ChemBase ID: 69947
Molecular Formular: C3H7NO2
Molecular Mass: 89.09318
Monoisotopic Mass: 89.04767847
SMILES and InChIs

SMILES:
C(=O)(CNC)O
Canonical SMILES:
CNCC(=O)O
InChI:
InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKey:
FSYKKLYZXJSNPZ-UHFFFAOYSA-N

Cite this record

CBID:69947 http://www.chembase.cn/molecule-69947.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(methylamino)acetic acid
IUPAC Traditional name
sarcosine
Synonyms
N-METHYLGLYCINE
2-(methylamino)acetic acid
Sarcosine
N-Methylglycine
Sarcosine
Methylaminoacetic acid
(Methylamino)acetic Acid
(Methylamino)ethanoic Acid
N-Methylglycocoll
Methylglycine
Sarcosin
Sarcosinic Acid
Sar
N-甲基甘氨酸
肌氨酸
CAS Number
107-97-1
EC Number
203-538-6
MDL Number
MFCD00004279
Beilstein Number
1699442
Merck Index
148373
PubChem SID
162035672
24848035
24888235
24899761
PubChem CID
1088
CHEBI ID
15611
CHEMBL
304383
Chemspider ID
1057
Gmelin ID
2018
KEGG ID
C00213
MeSH Name
Sarcosine
Unique Ingredient Identifier
Z711V88R5F
Wikipedia Title
Sarcosine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0566752  H Acceptors
H Donor LogD (pH = 5.5) -3.1863375 
LogD (pH = 7.4) -3.1866522  Log P -3.186261 
Molar Refractivity 20.778 cm3 Polarizability 8.358352 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
89.09 g L-1 (at 20 °C) in water 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
Apperance
White crystalline powder expand Show data source
Melting Point
208 - 212°C expand Show data source
208°C (dec.) expand Show data source
208-212 °C (dec.) expand Show data source
208-212 °C (dec.)(lit.) expand Show data source
ca 208°C dec. expand Show data source
Boiling Point
195.1°C expand Show data source
Density
1.093 g/mL expand Show data source
Partition Coefficient
0.599 expand Show data source
Absorption Wavelength
260 nm expand Show data source
λ: 260 nm Amax: 0.05 expand Show data source
λ: 280 nm Amax: 0.04 expand Show data source
pKa
2.36 expand Show data source
pKb
11.64 expand Show data source
Odor
Odourless expand Show data source
Heat Capacity
128.9 J K-1 mol-1 expand Show data source
Std enthalpy of combustion
-1667.84–-1667.54 kJ mol-1 expand Show data source
Std enthalpy of formation
-513.50–-512.98 kJ mol-1 expand Show data source
Absorbance
0.05 expand Show data source
pH
6.0-7.0 (25 °C, 1 M in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Hygroscopic expand Show data source
IRRITANT expand Show data source
RTECS
VQ2897000 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
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (T) expand Show data source
≥99.0% (NT) expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.05% expand Show data source
≤0.1% expand Show data source
≤0.1% (as SO4) expand Show data source
Impurities
≤0.0005% Phosphorus (P) expand Show data source
≤0.1% Insoluble matter expand Show data source
insoluble matter, passes filter test 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: ≤0.0005% 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: ≤0.001% 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: ≤0.05% expand Show data source
Na: ≤50 mg/kg expand Show data source
NH4+: ≤0.1% 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-): ≤0.5% expand Show data source
chloride (Cl-): ≤50 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
Quality
crystallized expand Show data source
λ
1 M in H2O expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
CH3NHCH2COOH expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05212455 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02102857 external link
Free Base
Crystalline
Purity: 98%
Sigma Aldrich - S7672 external link
包装
10 mg in autosmp vl
Sigma Aldrich - 131776 external link
Packaging
100, 500 g in poly bottle
Sigma Aldrich - 84530 external link
Other Notes
Solubilization of myelin proteins by detergents1
Toronto Research Chemicals - S140500 external link
Has been found in starfish and sea urchins. It is used as intermediate in the synthesis of antienzyme agents for toothpaste. Found to be a marker for prostate cancer bioagression.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Baumann, et al.: J. Biol. Chem., 21, 563 (1915)
  • • Novellie, L., et al.: Nature, 173, 450 (1915)
  • • Arun, S., et al.: Nature, 457, 910 (1915)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle