1-(propan-2-yl)piperidin-4-amine

• ChemBase ID: 17561
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCC(CC1)N)C(C)C
• Canonical SMILES: CC(N1CCC(CC1)N)C
• InChI: InChI=1S/C8H18N2/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6,9H2,1-2H3
• InChIKey: ZRQQXFMGYSOKDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-isopropylpiperidin-4-amine
• Synonyms: 1-Isopropyl-piperidin-4-ylamine; 1-isopropyl-4-piperidinamine; 1-isopropylpiperidin-4-amine; 4-Amino-1-isopropylpiperidine

Database IDs

• CAS Number: 127285-08-9
• MDL Number: MFCD03411606
• PubChem SID: 160980868
• PubChem CID: 3163333

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.935426
• LogD (pH = 7.4): -3.980325
• Log P: 0.17473024
• Molar Refractivity: 44.5373 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.9
• Hydrophobicity(logP): 0.232

Safety Information

• Storage Warning: Corrosive/Flammable/Air Sensitive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%