undecan-2-amine

• ChemBase ID: 10651
• Molecular Formular: C11H25N
• Molecular Mass: 171.3229
• Monoisotopic Mass: 171.19869981
• SMILES: CC(CCCCCCCCC)N
• Canonical SMILES: CCCCCCCCCC(N)C
• InChI: InChI=1S/C11H25N/c1-3-4-5-6-7-8-9-10-11(2)12/h11H,3-10,12H2,1-2H3
• InChIKey: NHBKWZCTSMCKDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecan-2-amine
• IUPAC Traditional name: undecan-2-amine
• Synonyms: 1-METHYLDECYLAMINE; 2-Aminoundecane

Database IDs

• CAS Number: 13205-56-6
• EC Number: 236-173-6
• MDL Number: MFCD00025571
• PubChem SID: 160973958
• PubChem CID: 114476

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7547664
• LogD (pH = 7.4): 1.0510677
• Log P: 3.782427
• Molar Refractivity: 55.8172 cm^3
• Polarizability: 22.57728 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 113°C/26mm

Safety Information

• Storage Warning: CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05209782

MP Biomedicals Rare Chemical collection