triacontan-1-amine hydrochloride

• ChemBase ID: 178869
• Molecular Formular: C30H64ClN
• Molecular Mass: 474.28886
• Monoisotopic Mass: 473.47272873
• SMILES: NCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.Cl
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN.Cl
• InChI: InChI=1S/C30H63N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31;/h2-31H2,1H3;1H
• InChIKey: FQKBLFUIXRKJBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triacontan-1-amine hydrochloride
• IUPAC Traditional name: triacontan-1-amine hydrochloride
• Synonyms: 1-Triacontanamine Hydrochloride; 1-Triacontylamine Hydrochloride

Database IDs

• CAS Number: 1346603-96-0
• PubChem SID: 164234779
• PubChem CID: 71752668

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 9.233237
• LogD (pH = 7.4): 9.653014
• Log P: 12.257225
• Molar Refractivity: 143.4184 cm^3
• Polarizability: 57.671062 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Insoluble in all solvent tested. Free base is soluble in Chloroform.
• Apperance: White Solid
• Melting Point: 138-144°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - T767060

It is useful in photochromic materials.