propyl 2-aminoacetate hydrochloride

• ChemBase ID: 297455
• Molecular Formular: C5H12ClNO2
• Molecular Mass: 153.60728
• Monoisotopic Mass: 153.05565631
• SMILES: CCCOC(=O)CN.Cl
• Canonical SMILES: CCCOC(=O)CN.Cl
• InChI: InChI=1S/C5H11NO2.ClH/c1-2-3-8-5(7)4-6;/h2-4,6H2,1H3;1H
• InChIKey: YDBMNSABUROTEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl 2-aminoacetate hydrochloride
• IUPAC Traditional name: propyl 2-aminoacetate hydrochloride
• Synonyms: n-Propyl glycinate hydrochloride; Glycine n-propyl ester hydrochloride; 甘氨酸正丙酯.盐酸盐

Database IDs

• CAS Number: 13049-01-9
• EC Number: 235-925-0
• MDL Number: MFCD00151829
• PubChem SID: 180682986
• PubChem CID: 2759254

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7074058
• LogD (pH = 7.4): -0.29500574
• Log P: -0.12225115
• Molar Refractivity: 30.0451 cm^3
• Polarizability: 12.24825 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78-80°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A