2-amino-N,N-dimethylbenzamide hydrochloride

• ChemBase ID: 124752
• Molecular Formular: C9H13ClN2O
• Molecular Mass: 200.66532
• Monoisotopic Mass: 200.07164073
• SMILES: C(=O)(c1c(N)cccc1)N(C)C.Cl
• Canonical SMILES: CN(C(=O)c1ccccc1N)C.Cl
• InChI: InChI=1S/C9H12N2O.ClH/c1-11(2)9(12)7-5-3-4-6-8(7)10;/h3-6H,10H2,1-2H3;1H
• InChIKey: BGDPTOJYZYZLPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-dimethylbenzamide hydrochloride
• IUPAC Traditional name: 2-amino-N,N-dimethylbenzamide hydrochloride
• Synonyms: 2-amino-N,N-dimethylbenzamide hydrochloride

Database IDs

• PubChem SID: 162219105
• PubChem CID: 20982453

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0913621
• LogD (pH = 7.4): 1.0923003
• Log P: 1.0923123
• Molar Refractivity: 49.6302 cm^3
• Polarizability: 17.981962 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCL