2-amino-N-(naphthalen-2-yl)acetamide hydrochloride

• ChemBase ID: 132441
• Molecular Formular: C12H13ClN2O
• Molecular Mass: 236.69742
• Monoisotopic Mass: 236.07164073
• SMILES: c1ccc2cc(ccc2c1)NC(=O)CN.Cl
• Canonical SMILES: NCC(=O)Nc1ccc2c(c1)cccc2.Cl
• InChI: InChI=1S/C12H12N2O.ClH/c13-8-12(15)14-11-6-5-9-3-1-2-4-10(9)7-11;/h1-7H,8,13H2,(H,14,15);1H
• InChIKey: CDOBGWIHUYXBJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(naphthalen-2-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(naphthalen-2-yl)acetamide hydrochloride
• Synonyms: Glycine β-naphthylamide hydrochloride

Database IDs

• CAS Number: 1208-12-4
• EC Number: 214-899-4
• MDL Number: MFCD00051282
• PubChem SID: 162226718; 24895227
• PubChem CID: 3013989

CALCULATED PROPERTIES

• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.374015
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0967544
• LogD (pH = 7.4): 0.5976491
• Log P: 1.276303
• Molar Refractivity: 60.7309 cm^3
• Polarizability: 24.292517 Å^3

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 40
• Safety Statements: 22-36
• GHS Pictograms: GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H351
• GHS Precautionary statements: P281
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• Storage Temperature: -20°C