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21931-03-3 molecular structure
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2-aminoacetic acid

ChemBase ID: 31
Molecular Formular: C2H5NO2
Molecular Mass: 75.0666
Monoisotopic Mass: 75.03202841
SMILES and InChIs

SMILES:
OC(=O)CN
Canonical SMILES:
NCC(=O)O
InChI:
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKey:
DHMQDGOQFOQNFH-UHFFFAOYSA-N

Cite this record

CBID:31 http://www.chembase.cn/molecule-31.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminoacetic acid
IUPAC Traditional name
glycine
Brand Name
Aciport
Glicoamin
Glycocoll
Glycolixir
Glycosthene
Gyn-Hydralin
Padil
Synonyms
2-Aminoacetic acid
Aminoacetic acid
Aminoethanoic acid
Gly
Glycine
6-Aminopurine HCl
ADENINE HYDROCHLORIDE
Glycocoll
G
Glycolixir
Hampshire Glycine
GLYCINE ACS REAGENT GRADE
GLYCINE, ELECTROPHORESIS GRADE
Glycine-2-3H
GLYCINE FREE ACID
GLYCINE, USP GRADE
Additive Screening Solution 47/Fluka kit no 78374
Aciport
Glicoamin
Glycosthene
Gyn-Hydralin
H 1
NSC 25936
Glycinum
2-Aminoacetic acid
Glycine
H-Gly-OH
NSC 2916
NSC 54188
Padil
Glycine, ACS
Glycine solution
Glycine 1 M solution
乙氨酸
氨基乙酸
甘氨酸
氨基醋酸
甘氨酸
甘氨酸, ACS
CAS Number
21931-03-3
56-40-6
6055-72-7
EC Number
231-791-2
200-272-2
MDL Number
MFCD00008131
MFCD00135793
Beilstein Number
635782
Merck Index
144491
PubChem SID
24895210
24895353
24849510
24860042
24865701
24895355
24895135
160963494
24873323
24901611
46508219
24895290
24895306
PubChem CID
750
CHEBI ID
15428
ATC CODE
B05CX03
CHEMBL
773
Chemspider ID
730
DrugBank ID
DB00145
FEMA ID
3287
IUPHAR ligand ID
727
KEGG ID
D00011
Unique Ingredient Identifier
TE7660XO1C
Wikipedia Title
Glycine
Council of Europe Number
4118
Flavis Number
17.034
E Number
E640

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 2.307457  H Acceptors
H Donor LogD (pH = 5.5) -3.4094565 
LogD (pH = 7.4) -3.4150424  Log P -3.4094596 
Molar Refractivity 16.0034 cm3 Polarizability 6.549665 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -3.34  LOG S 0.87 
Solubility (Water) 5.52e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
1 M HCl: soluble1 M at 20 °C, clear, colorless expand Show data source
1 M HCl: soluble1 M, clear expand Show data source
1 M HCl: soluble1 M, clear, colorless expand Show data source
1 M HCl: soluble75 mg/L, clear, colorless (2.252g in 30mL) expand Show data source
24.99 g/100 mL (25 °C) in water expand Show data source
249 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] expand Show data source
H2O: soluble100 mg/mL expand Show data source
hydrochloric acid: soluble1 M at 20 °C, clear expand Show data source
soluble in ethanol, pyridine
insoluble in ether
expand Show data source
Apperance
Crystalline expand Show data source
powder expand Show data source
Powder expand Show data source
white solid expand Show data source
Melting Point
~250 °C (dec.) expand Show data source
182 °C expand Show data source
233 °C (decomposition) expand Show data source
240 °C (dec.)(lit.) expand Show data source
ca 245°C dec. expand Show data source
Boiling Point
>= 233 °C with decomposition expand Show data source
Density
1.03 g/mL at 20 °C expand Show data source
1.16 g/ml expand Show data source
1.595 expand Show data source
1.607 g/cm3 expand Show data source
Absorption Wavelength
A1M/260, 1 M HCl ≤0.01 expand Show data source
A1M/280 ≤0.15 expand Show data source
A1M/280, 1 M HCl ≤0.01 expand Show data source
λ: 260 nm Amax: 0.01 expand Show data source
λ: 280 nm Amax: 0.01 expand Show data source
Hydrophobicity(logP)
-3.4 expand Show data source
pKa
2.34 (carboxyl), 9.6 (amino) expand Show data source
2.35 expand Show data source
2.35 (25°C) expand Show data source
Fluorescence
λex 200-600; λem 300-800 nm (corresponds) expand Show data source
pH
5.9-6.4 (20 °C, 5%) expand Show data source
Organoleptic
sweet expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
MB7600000 expand Show data source
European Hazard Symbols
R expand Show data source
UN Number
2910 expand Show data source
MSDS Link
Download expand Show data source
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German water hazard class
1 expand Show data source
3 expand Show data source
Hazard Class
7 expand Show data source
TSCA Listed
expand Show data source
LD50
2600 mg/kg (mouse, oral) 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
RID/ADR
UN 2910 7 expand Show data source
Storage Temperature
20-25°C expand Show data source
2-8°C expand Show data source
Regulation Compliance
FCC expand Show data source
FDA 21 CFR (170.50) expand Show data source
FDA 21 CFR (172.320) expand Show data source
FDA 21 CFR (172.812) expand Show data source
Gene Information
rat ... Grin2a(24409) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥98.5% expand Show data source
≥99% expand Show data source
~99% expand Show data source
>99.5% expand Show data source
≥98.5% expand Show data source
≥98.5% (NT) expand Show data source
≥99% expand Show data source
≥99% (titration) expand Show data source
≥99% (TLC) expand Show data source
≥99.0% expand Show data source
≥99.0% (NT) expand Show data source
98% expand Show data source
98.5+% expand Show data source
99% expand Show data source
99.5+% expand Show data source
99.7-101% (calc. to the dried substance) expand Show data source
99-101% (based on anhydrous substance) expand Show data source
Grade
ACS expand Show data source