nonadecan-2-amine

• ChemBase ID: 10648
• Molecular Formular: C19H41N
• Molecular Mass: 283.53554
• Monoisotopic Mass: 283.32390032
• SMILES: NC(C)CCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(N)C
• InChI: InChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h19H,3-18,20H2,1-2H3
• InChIKey: CRTBHHWJNLQHEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonadecan-2-amine
• IUPAC Traditional name: nonadecan-2-amine
• Synonyms: 2-Aminononadecane

Database IDs

• CAS Number: 31604-55-4
• MDL Number: MFCD00053641
• PubChem SID: 160973955
• PubChem CID: 141647

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.3113155
• LogD (pH = 7.4): 4.607617
• Log P: 7.3389764
• Molar Refractivity: 92.6252 cm^3
• Polarizability: 37.353607 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 151°C/1mm

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%