(1R,2R)-2-methylcyclopropan-1-amine

• ChemBase ID: 268002
• Molecular Formular: C4H9N
• Molecular Mass: 71.12096
• Monoisotopic Mass: 71.07349929
• SMILES: [C@H]1(C[C@H]1C)N
• Canonical SMILES: C[C@@H]1C[C@H]1N
• InChI: InChI=1S/C4H9N/c1-3-2-4(3)5/h3-4H,2,5H2,1H3/t3-,4-/m1/s1
• InChIKey: PYTANBUURZFYHD-QWWZWVQMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-methylcyclopropan-1-amine
• IUPAC Traditional name: (1R,2R)-2-methylcyclopropan-1-amine
• Synonyms: trans-2-methylcyclopropanamine; trans-2-methylcyclopropan-1-amine

Database IDs

• MDL Number: MFCD16622049
• PubChem SID: 164323912
• PubChem CID: 12953691

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.8153834
• LogD (pH = 7.4): -2.3038142
• Log P: 0.2050785
• Molar Refractivity: 21.6016 cm^3
• Polarizability: 8.905697 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.439

Product Information

• Purity: 95%