(5-aminopentyl)(propan-2-yl)amine

• ChemBase ID: 10732
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: CC(NCCCCCN)C
• Canonical SMILES: NCCCCCNC(C)C
• InChI: InChI=1S/C8H20N2/c1-8(2)10-7-5-3-4-6-9/h8,10H,3-7,9H2,1-2H3
• InChIKey: XBPAJDWNIXPXFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-aminopentyl)(propan-2-yl)amine
• IUPAC Traditional name: (5-aminopentyl)(isopropyl)amine
• Synonyms: 5-Isopropylaminoamylamine

Database IDs

• CAS Number: 162713-22-6
• MDL Number: MFCD00082995
• PubChem SID: 160974039
• PubChem CID: 3303780

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.4559135
• LogD (pH = 7.4): -4.771173
• Log P: 0.80541176
• Molar Refractivity: 45.9216 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78°C/ 8mm

Safety Information

• Storage Warning: CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 98%