oct-7-en-2-amine

• ChemBase ID: 246796
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C(=C)CCCCC(N)C
• Canonical SMILES: C=CCCCCC(N)C
• InChI: InChI=1S/C8H17N/c1-3-4-5-6-7-8(2)9/h3,8H,1,4-7,9H2,2H3
• InChIKey: IHKFFWZGHRAKFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oct-7-en-2-amine
• IUPAC Traditional name: oct-7-en-2-amine
• Synonyms: oct-7-en-2-amine

Database IDs

• MDL Number: MFCD20313335
• PubChem SID: 164302706
• PubChem CID: 64503869

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.88292754
• LogD (pH = 7.4): -0.5866236
• Log P: 2.1447332
• Molar Refractivity: 42.0583 cm^3
• Polarizability: 16.806469 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.335

Product Information

• Purity: 95%