propan-2-yl 2-aminoacetate hydrochloride

• ChemBase ID: 270624
• Molecular Formular: C5H12ClNO2
• Molecular Mass: 153.60728
• Monoisotopic Mass: 153.05565631
• SMILES: C(=O)(OC(C)C)CN.Cl
• Canonical SMILES: NCC(=O)OC(C)C.Cl
• InChI: InChI=1S/C5H11NO2.ClH/c1-4(2)8-5(7)3-6;/h4H,3,6H2,1-2H3;1H
• InChIKey: UBKCIXXGQRZHRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 2-aminoacetate hydrochloride
• IUPAC Traditional name: isopropyl 2-aminoacetate hydrochloride
• Synonyms: H-Gly-OiPr.HCl; Isopropyl glycinate hydrochloride; Glycine isopropyl ester hydrochloride; propan-2-yl 2-aminoacetate hydrochloride; 甘氨酸异丙酯.盐酸盐

Database IDs

• CAS Number: 14019-62-6
• MDL Number: MFCD00151826
• PubChem SID: 164326534
• PubChem CID: 23033482

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8130456
• LogD (pH = 7.4): -0.40084586
• Log P: -0.22819853
• Molar Refractivity: 29.9399 cm^3
• Polarizability: 12.24825 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): 0.31

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%; 96%