[(2S)-1-methylpyrrolidin-2-yl]methanamine

• ChemBase ID: 63316
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: [C@@H]1(N(CCC1)C)CN
• Canonical SMILES: NC[C@@H]1CCCN1C
• InChI: InChI=1S/C6H14N2/c1-8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3/t6-/m0/s1
• InChIKey: JUFKJRCMBLLXNH-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S)-1-methylpyrrolidin-2-yl]methanamine
• IUPAC Traditional name: [(2S)-1-methylpyrrolidin-2-yl]methanamine
• Synonyms: (S)-(-)-1-Methyl-2-aminomethylpyrrolidine

Database IDs

• CAS Number: 66411-54-9
• MDL Number: MFCD11106680
• PubChem SID: 162029055
• PubChem CID: 21307221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.1451473
• LogD (pH = 7.4): -2.8681512
• Log P: -0.1412498
• Molar Refractivity: 35.1491 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%