N-ethylcyclopropanamine

• ChemBase ID: 34323
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: C1CC1NCC
• Canonical SMILES: CCNC1CC1
• InChI: InChI=1S/C5H11N/c1-2-6-5-3-4-5/h5-6H,2-4H2,1H3
• InChIKey: ULEZWUGQDAQWPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylcyclopropanamine
• IUPAC Traditional name: N-ethylcyclopropanamine
• Synonyms: N-Cyclopropyl-N-ethylamine; N-ethylcyclopropanamine; 2-CYCLOPROPYL ETHYLAMINE

Database IDs

• CAS Number: 62893-54-3; 26389-72-0
• MDL Number: MFCD09739279
• PubChem SID: 160997630
• PubChem CID: 13112619

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5987866
• LogD (pH = 7.4): -2.062333
• Log P: 0.629494
• Molar Refractivity: 26.6532 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.365

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%