undecan-6-amine

• ChemBase ID: 110182
• Molecular Formular: C11H25N
• Molecular Mass: 171.3229
• Monoisotopic Mass: 171.19869981
• SMILES: CCCCCC(N)CCCCC
• Canonical SMILES: CCCCCC(CCCCC)N
• InChI: InChI=1S/C11H25N/c1-3-5-7-9-11(12)10-8-6-4-2/h11H,3-10,12H2,1-2H3
• InChIKey: GFBRYGJZWXLRFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecan-6-amine
• IUPAC Traditional name: undecan-6-amine
• Synonyms: undecan-6-amine; 6-AMINOUNDECANE

Database IDs

• CAS Number: 33788-00-0
• MDL Number: MFCD00047924
• PubChem SID: 162095578
• PubChem CID: 141845

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8324287
• LogD (pH = 7.4): 1.117184
• Log P: 3.860381
• Molar Refractivity: 55.7402 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

• Hydrophobicity(logP): 4.406

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05214047

MP Biomedicals Rare Chemical collection