4-amino-N,N-dimethylbenzamide

• ChemBase ID: 23638
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C(=O)(c1ccc(N)cc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)N)C
• InChI: InChI=1S/C9H12N2O/c1-11(2)9(12)7-3-5-8(10)6-4-7/h3-6H,10H2,1-2H3
• InChIKey: QEPGWLBMAAEBCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N,N-dimethylbenzamide
• IUPAC Traditional name: 4-amino-N,N-dimethylbenzamide
• Synonyms: 4-Amino-N,N-dimethylbenzamide; 4-Amino-N,N-dimethylbenzamide; 4-(Dimethylcarbamoyl)aniline; 4-氨基-N,N-二甲基苯甲酰胺

Database IDs

• CAS Number: 6331-71-1
• MDL Number: MFCD00523648
• PubChem SID: 160986945
• PubChem CID: 235527

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4388346
• LogD (pH = 7.4): 0.44226834
• Log P: 0.4423123
• Molar Refractivity: 49.6302 cm^3
• Polarizability: 17.980057 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C; 151-153°C; 151-154°C
• Hydrophobicity(logP): -0.11

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 95%; 97%; 97+%