dodecan-1-aminium chloride

• ChemBase ID: 302280
• Molecular Formular: C12H28ClN
• Molecular Mass: 221.81042
• Monoisotopic Mass: 221.19102758
• SMILES: CCCCCCCCCCCC[NH3+].[Cl-]
• Canonical SMILES: CCCCCCCCCCCC[NH3+].[Cl-]
• InChI: InChI=1S/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H
• InChIKey: TWFQJFPTTMIETC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecan-1-aminium chloride
• IUPAC Traditional name: dodecan-1-aminium chloride
• Synonyms: 1-Aminododecane hydrochloride; Laurylamine hydrochloride; 1-Dodecylamine hydrochloride; 1-十二胺盐酸盐

Database IDs

• CAS Number: 929-73-7
• EC Number: 213-205-7
• MDL Number: MFCD00042017
• Beilstein Number: 3553943

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 1.2310013
• LogD (pH = 7.4): 1.6507778
• Log P: 4.2549896
• Molar Refractivity: 71.8932 cm^3
• Polarizability: 24.346558 Å^3
• Polar Surface Area: 27.64 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186-188°C

Safety Information

• RTECS: JR6750000
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%