2-(azocan-1-yl)ethan-1-amine

• ChemBase ID: 136354
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: C1CCCN(CCC1)CCN
• Canonical SMILES: NCCN1CCCCCCC1
• InChI: InChI=1S/C9H20N2/c10-6-9-11-7-4-2-1-3-5-8-11/h1-10H2
• InChIKey: ZFGCHESRGLETHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azocan-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(azocan-1-yl)ethanamine
• Synonyms: 2-(1-Azocanyl)ethanamine

Database IDs

• CAS Number: 1126-67-6
• MDL Number: MFCD09864548
• PubChem SID: 162230624
• PubChem CID: 70776

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7447865
• LogD (pH = 7.4): -1.5881581
• Log P: 1.1326891
• Molar Refractivity: 49.2819 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C9H20N2

DETAILS

Sigma Aldrich - CBR00302

Other Notes
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Legal Information
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