(cyclopropylmethyl)(ethyl)amine

• ChemBase ID: 71465
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1CC1CNCC
• Canonical SMILES: CCNCC1CC1
• InChI: InChI=1S/C6H13N/c1-2-7-5-6-3-4-6/h6-7H,2-5H2,1H3
• InChIKey: UHFLNWZBNRVHGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(ethyl)amine
• IUPAC Traditional name: (cyclopropylmethyl)(ethyl)amine
• Synonyms: (cyclopropylmethyl)ethylamine; N-(Cyclopropylmethyl)ethanamine; (cyclopropylmethyl)(ethyl)amine

Database IDs

• CAS Number: 26389-65-1
• MDL Number: MFCD11140436
• PubChem SID: 162037053
• PubChem CID: 20341223

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2923224
• LogD (pH = 7.4): -2.0063944
• Log P: 0.94450676
• Molar Refractivity: 31.384 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.984

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%