1-methylpiperidin-4-amine

• ChemBase ID: 66597
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1(CCC(CC1)N)C
• Canonical SMILES: CN1CCC(CC1)N
• InChI: InChI=1S/C6H14N2/c1-8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3
• InChIKey: ALOCUZOKRULSAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpiperidin-4-amine
• IUPAC Traditional name: 1-methylpiperidin-4-amine
• Synonyms: 4-Amino-1-methylpiperidine 97%; 4-Amino-1-methylpiperidine; 1-methylpiperidin-4-amine

Database IDs

• CAS Number: 41838-46-4
• MDL Number: MFCD01570549
• PubChem SID: 162032334
• PubChem CID: 2737531

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.340288
• LogD (pH = 7.4): -4.26331
• Log P: -0.5986527
• Molar Refractivity: 35.3699 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 57-60°C/9mm
• Hydrophobicity(logP): -0.606

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%