pyrrolidin-3-amine

• ChemBase ID: 34658
• Molecular Formular: C4H10N2
• Molecular Mass: 86.1356
• Monoisotopic Mass: 86.08439833
• SMILES: N1CCC(N)C1
• Canonical SMILES: NC1CNCC1
• InChI: InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2
• InChIKey: NGXSWUFDCSEIOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrrolidin-3-amine
• IUPAC Traditional name: pyrrolidin-3-amine
• Synonyms: Pyrrolidin-3-amine; 3-Aminopyrrolidine

Database IDs

• CAS Number: 79286-79-6
• MDL Number: MFCD00059018
• PubChem SID: 160997965
• PubChem CID: 164401

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.116508
• LogD (pH = 7.4): -4.3484693
• Log P: -1.0416604
• Molar Refractivity: 25.2098 cm^3
• Polarizability: 10.427217 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 99%