(1-ethylcyclobutyl)methanamine

• ChemBase ID: 143735
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: CCC1(CCC1)CN
• Canonical SMILES: CCC1(CN)CCC1
• InChI: InChI=1S/C7H15N/c1-2-7(6-8)4-3-5-7/h2-6,8H2,1H3
• InChIKey: YXHXWNKVIZEDET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethylcyclobutyl)methanamine
• IUPAC Traditional name: (1-ethylcyclobutyl)methanamine
• Synonyms: 1-(1-Ethylcyclobutyl)methanamine; 1-(1-ethylcyclobutyl)methanamine; (1-ethylcyclobutyl)methanamine

Database IDs

• CAS Number: 959239-85-1
• MDL Number: MFCD09864490
• PubChem SID: 162237952
• PubChem CID: 28064566

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5928186
• LogD (pH = 7.4): -0.9714718
• Log P: 1.4222566
• Molar Refractivity: 35.4609 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.916

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C7H15N

DETAILS

Sigma Aldrich - CBR00151

Other Notes
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Legal Information
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