1-methyl-N-phenylpiperidin-4-amine

• ChemBase ID: 259273
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(CCC(Nc2ccccc2)CC1)C
• Canonical SMILES: CN1CCC(CC1)Nc1ccccc1
• InChI: InChI=1S/C12H18N2/c1-14-9-7-12(8-10-14)13-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
• InChIKey: GXJSWUKLJQHQFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-phenylpiperidin-4-amine
• IUPAC Traditional name: 1-methyl-N-phenylpiperidin-4-amine
• Synonyms: 1-methyl-N-phenylpiperidin-4-amine; 1-Benzyl-N-methyl-4-piperidinamine; 4-Anilino-1-methylpiperidine; 4-苯胺-1-甲基哌啶

Database IDs

• CAS Number: 22261-94-5
• EC Number: 244-882-7
• MDL Number: MFCD06408133
• PubChem SID: 164315183
• PubChem CID: 89642

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6783352
• LogD (pH = 7.4): -0.039054383
• Log P: 1.47283
• Molar Refractivity: 61.7029 cm^3
• Polarizability: 23.35273 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C; 82-86°C
• Hydrophobicity(logP): 1.699

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%; 98%