dodecan-1-amine hydrochloride

• ChemBase ID: 112096
• Molecular Formular: C12H28ClN
• Molecular Mass: 221.81042
• Monoisotopic Mass: 221.19102758
• SMILES: Cl.CCCCCCCCCCCCN
• Canonical SMILES: CCCCCCCCCCCCN.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-amine hydrochloride
• IUPAC Traditional name: N-dodecylamine hydrochloride
• Synonyms: n-DODECYLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 929-73-7
• PubChem SID: 162096893
• PubChem CID: 458426

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2310013
• LogD (pH = 7.4): 1.6507778
• Log P: 4.2549896
• Molar Refractivity: 60.6004 cm^3
• Polarizability: 24.42432 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05222540

MP Biomedicals Rare Chemical collection