1-propylpiperidin-4-amine

• ChemBase ID: 26226
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCC(CC1)N)CCC
• Canonical SMILES: CCCN1CCC(CC1)N
• InChI: InChI=1S/C8H18N2/c1-2-5-10-6-3-8(9)4-7-10/h8H,2-7,9H2,1H3
• InChIKey: ZCYVGFQRDRGDJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propylpiperidin-4-amine
• IUPAC Traditional name: 1-propylpiperidin-4-amine
• Synonyms: 1-Propylpiperidin-4-amine

Database IDs

• CAS Number: 42389-59-3
• MDL Number: MFCD04967262
• PubChem SID: 160989533
• PubChem CID: 541730

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.807249
• LogD (pH = 7.4): -3.8374567
• Log P: 0.28067762
• Molar Refractivity: 44.6425 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

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 0.452

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%