dinonylamine hydrochloride

• ChemBase ID: 123324
• Molecular Formular: C18H40ClN
• Molecular Mass: 305.9699
• Monoisotopic Mass: 305.28492797
• SMILES: N(CCCCCCCCC)CCCCCCCCC.Cl
• Canonical SMILES: CCCCCCCCCNCCCCCCCCC.Cl
• InChI: InChI=1S/C18H39N.ClH/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h19H,3-18H2,1-2H3;1H
• InChIKey: PZWJYQJCWFCPEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dinonylamine hydrochloride
• IUPAC Traditional name: dinonylamine hydrochloride
• Synonyms: dinonylamine hydrochloride

Database IDs

• PubChem SID: 162217677
• PubChem CID: 51051882

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.662829
• LogD (pH = 7.4): 3.9089448
• Log P: 6.900606
• Molar Refractivity: 88.4506 cm^3
• Polarizability: 35.506565 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Salt Data: HCl