tetradecan-2-amine

• ChemBase ID: 112802
• Molecular Formular: C14H31N
• Molecular Mass: 213.40264
• Monoisotopic Mass: 213.24565
• SMILES: CCCCCCCCCCCCC(C)N
• Canonical SMILES: CCCCCCCCCCCCC(N)C
• InChI: InChI=1S/C14H31N/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h14H,3-13,15H2,1-2H3
• InChIKey: RRLSSXNOPYHNQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecan-2-amine
• IUPAC Traditional name: tetradecan-2-amine
• Synonyms: 2-AMINO TETRADECANE

Database IDs

• PubChem SID: 162106867
• PubChem CID: 18000096

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0884724
• LogD (pH = 7.4): 2.3847737
• Log P: 5.116133
• Molar Refractivity: 69.6202 cm^3
• Polarizability: 28.1184 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05225921

MP Biomedicals Rare Chemical collection