(1-methylpiperidin-3-yl)methanamine

• ChemBase ID: 50898
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CC(CN)CCC1)C
• Canonical SMILES: NCC1CCCN(C1)C
• InChI: InChI=1S/C7H16N2/c1-9-4-2-3-7(5-8)6-9/h7H,2-6,8H2,1H3
• InChIKey: KEDTYNCWGSIWBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylpiperidin-3-yl)methanamine
• IUPAC Traditional name: (1-methylpiperidin-3-yl)methanamine
• Synonyms: (1-methylpiperid-3-yl)methylamine; (1-methylpiperidin-3-yl)methanamine; C-(1-Methyl-piperidin-3-yl)-methylamine; (1-Methylpiperidin-3-yl)methylamine; 3-(Aminomethyl)-1-methylpiperidine; 1-(1-methylpiperidin-3-yl)methanamine

Database IDs

• CAS Number: 14613-37-7
• MDL Number: MFCD06738902
• PubChem SID: 162055661
• PubChem CID: 13675353

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.142563
• LogD (pH = 7.4): -4.049159
• Log P: -0.09649526
• Molar Refractivity: 40.0891 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.013

Safety Information

• Storage Warning: Corrosive/Toxic; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%