benzyl 2-aminoacetate hydrochloride

• ChemBase ID: 52920
• Molecular Formular: C9H12ClNO2
• Molecular Mass: 201.65008
• Monoisotopic Mass: 201.05565631
• SMILES: C(=O)(CN)OCc1ccccc1.Cl
• Canonical SMILES: NCC(=O)OCc1ccccc1.Cl
• InChI: InChI=1S/C9H11NO2.ClH/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H
• InChIKey: VLQHNAMRWPQWNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 2-aminoacetate hydrochloride
• IUPAC Traditional name: benzyl 2-aminoacetate hydrochloride
• Synonyms: Benzyl 2-aminoacetate hydrochloride; Glycine benzyl ester hydrochloride; Benzyl glycinate hydrochloride; H-Gly-OBzl.HCl; Benzyl glycinate hydrochloride; Benzyl glycinate; GLYCINE BENZYL ESTER HYDROCHLORIDE; Glycine Phenylmethyl Ester Hydrochloride; Benzyl Aminoacetate Hydrochloride; Benzyl Glycinate Hydrochloride; 甘氨酸苄酯; 甘氨酸苄酯 盐酸盐; 甘氨酸苄酯,盐酸盐

Database IDs

• CAS Number: 1738-68-7; 2462-31-9
• MDL Number: MFCD00035442
• PubChem SID: 24895118; 162057683
• PubChem CID: 11701227

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.86190695
• LogD (pH = 7.4): 0.55026126
• Log P: 0.7228916
• Molar Refractivity: 45.3851 cm^3
• Polarizability: 18.136875 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Ethyl Acetate; Methanol
• Apperance: White Solid
• Melting Point: 134 - 136°C; 138-140°C; 139-140°C
• Hydrophobicity(logP): 0.963

Safety Information

• Storage Condition: 0°C
• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 95%; 98%

DETAILS

MP Biomedicals - 02157244

Hydrochloride

Toronto Research Chemicals - G625000

Potent crosslinking inhibitors.

REFERENCES

• Sloan, J., et al.: J. Biol. Chem., 274, 23740 (1999).