octadecan-1-amine hydrochloride

• ChemBase ID: 303590
• Molecular Formular: C18H40ClN
• Molecular Mass: 305.9699
• Monoisotopic Mass: 305.28492797
• SMILES: CCCCCCCCCCCCCCCCCCN.Cl
• Canonical SMILES: CCCCCCCCCCCCCCCCCCN.Cl
• InChI: InChI=1S/C18H39N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-19H2,1H3;1H
• InChIKey: RNYJXPUAFDFIQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadecan-1-amine hydrochloride
• IUPAC Traditional name: octadecylamine hydrochloride
• Synonyms: 1-Octadecylamine hydrochloride; 1-十八胺盐酸盐

Database IDs

• CAS Number: 1838-08-0
• EC Number: 217-410-2
• MDL Number: MFCD00042018

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8984132
• LogD (pH = 7.4): 4.3181896
• Log P: 6.9224014
• Molar Refractivity: 88.2064 cm^3
• Polarizability: 35.506565 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 160°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A