methyl 2-amino-5-methylbenzoate hydrochloride

• ChemBase ID: 272280
• Molecular Formular: C9H12ClNO2
• Molecular Mass: 201.65008
• Monoisotopic Mass: 201.05565631
• SMILES: c1(C(=O)OC)c(ccc(c1)C)N.Cl
• Canonical SMILES: COC(=O)c1cc(C)ccc1N.Cl
• InChI: InChI=1S/C9H11NO2.ClH/c1-6-3-4-8(10)7(5-6)9(11)12-2;/h3-5H,10H2,1-2H3;1H
• InChIKey: TXUYYELZMUFQBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-5-methylbenzoate hydrochloride
• IUPAC Traditional name: methyl 2-amino-5-methylbenzoate hydrochloride
• Synonyms: methyl 2-amino-5-methylbenzoate hydrochloride

Database IDs

• MDL Number: MFCD16875510
• PubChem SID: 164328190
• PubChem CID: 50988564

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3107705
• LogD (pH = 7.4): 2.3112125
• Log P: 2.3112183
• Molar Refractivity: 47.8249 cm^3
• Polarizability: 17.653896 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.623

Product Information

• Purity: 95%