dodecan-2-amine

• ChemBase ID: 244162
• Molecular Formular: C12H27N
• Molecular Mass: 185.34948
• Monoisotopic Mass: 185.21434987
• SMILES: NC(CCCCCCCCCC)C
• Canonical SMILES: CCCCCCCCCCC(N)C
• InChI: InChI=1S/C12H27N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11,13H2,1-2H3
• InChIKey: VXUXKOBYNVVANW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecan-2-amine
• IUPAC Traditional name: dodecan-2-amine
• Synonyms: dodecan-2-amine

Database IDs

• MDL Number: MFCD00972976
• PubChem SID: 164300072
• PubChem CID: 117167

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1993351
• LogD (pH = 7.4): 1.4956363
• Log P: 4.226996
• Molar Refractivity: 60.4182 cm^3
• Polarizability: 24.42432 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.935

Product Information

• Purity: 95%