4-amino-3-methoxy-N,N-dimethylbenzamide hydrochloride

• ChemBase ID: 235016
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: C(=O)(c1cc(c(cc1)N)OC)N(C)C.Cl
• Canonical SMILES: COc1cc(ccc1N)C(=O)N(C)C.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c1-12(2)10(13)7-4-5-8(11)9(6-7)14-3;/h4-6H,11H2,1-3H3;1H
• InChIKey: RCIZVHLMLDKPKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-3-methoxy-N,N-dimethylbenzamide hydrochloride
• IUPAC Traditional name: 4-amino-3-methoxy-N,N-dimethylbenzamide hydrochloride
• Synonyms: 4-amino-3-methoxy-N,N-dimethylbenzamide hydrochloride

Database IDs

• MDL Number: MFCD22056357
• PubChem SID: 164290926
• PubChem CID: 71755410

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.28091085
• LogD (pH = 7.4): 0.28459385
• Log P: 0.28464103
• Molar Refractivity: 56.0934 cm^3
• Polarizability: 20.509827 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 289 - 291°C
• Hydrophobicity(logP): 0.139

Product Information

• Purity: 95%