1-(pyrrolidin-1-yl)propan-2-amine

• ChemBase ID: 30830
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CC(N)C)CCCC1
• Canonical SMILES: CC(CN1CCCC1)N
• InChI: InChI=1S/C7H16N2/c1-7(8)6-9-4-2-3-5-9/h7H,2-6,8H2,1H3
• InChIKey: ZLGZKMHJXLDWSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-1-yl)propan-2-amine
• IUPAC Traditional name: 1-(pyrrolidin-1-yl)propan-2-amine
• Synonyms: 1-(pyrrolidin-1-yl)propan-2-amine; 1-Methyl-2-pyrrolidin-1-yl-ethylamine; 1-(1-pyrrolidinyl)-2-propanamine

Database IDs

• CAS Number: 50998-03-3
• MDL Number: MFCD01318919
• PubChem SID: 160994137
• PubChem CID: 15616489

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9711676
• LogD (pH = 7.4): -2.7553253
• Log P: 0.21555814
• Molar Refractivity: 39.8977 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.633

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%