(1-ethylpiperidin-3-yl)methanamine

• ChemBase ID: 15754
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: NCC1CN(CCC1)CC
• Canonical SMILES: NCC1CCCN(C1)CC
• InChI: InChI=1S/C8H18N2/c1-2-10-5-3-4-8(6-9)7-10/h8H,2-7,9H2,1H3
• InChIKey: SCANQRLZBOLBQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethylpiperidin-3-yl)methanamine
• IUPAC Traditional name: (1-ethylpiperidin-3-yl)methanamine
• Synonyms: (1-ethylpiperidin-3-yl)methanamine; [(1-Ethylpiperidin-3-yl)methyl]amine; 1-(1-ethylpiperidin-3-yl)methanamine

Database IDs

• CAS Number: 102459-02-9
• MDL Number: MFCD07757606
• PubChem SID: 160979061
• PubChem CID: 5200272

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.433597
• LogD (pH = 7.4): -3.327762
• Log P: 0.2603127
• Molar Refractivity: 44.8377 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.542

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%