(1S)-1-cyclopropylethan-1-amine

• ChemBase ID: 277133
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: C1(CC1)[C@@H](N)C
• Canonical SMILES: C[C@@H](C1CC1)N
• InChI: InChI=1S/C5H11N/c1-4(6)5-2-3-5/h4-5H,2-3,6H2,1H3/t4-/m0/s1
• InChIKey: IXCXVGWKYIDNOS-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-cyclopropylethan-1-amine
• IUPAC Traditional name: (1S)-1-cyclopropylethanamine
• Synonyms: (1S)-1-cyclopropylethan-1-amine; (S)-alpha-Methylcyclopropanemethylamine; (S)-1-Cyclopropylethylamine, ChiPros®; (S)-1-环丙基乙胺,ChiPros®

Database IDs

• CAS Number: 195604-39-8
• MDL Number: MFCD08064289
• PubChem SID: 164333043
• PubChem CID: 7363995

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4562607
• LogD (pH = 7.4): -2.171581
• Log P: 0.5716934
• Molar Refractivity: 26.2796 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -68°C
• Boiling Point: 95°C
• Flash Point: 3°C(37°F)
• Density: 0.799
• Hydrophobicity(logP): 0.618

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2733
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-34
• Safety Statements: 9-16-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%; 98%, ee 98+%