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

• ChemBase ID: 19234
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(C(CN)C)CCCC1
• Canonical SMILES: NCC(N1CCCC1)C
• InChI: InChI=1S/C7H16N2/c1-7(6-8)9-4-2-3-5-9/h7H,2-6,8H2,1H3
• InChIKey: GUHQLUWDOMXRGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-yl)propan-1-amine
• IUPAC Traditional name: 2-(pyrrolidin-1-yl)propan-1-amine
• Synonyms: 2-(1-pyrrolidinyl)-1-propanamine; 2-Pyrrolidin-1-yl-propylamine; 2-pyrrolidin-1-ylpropan-1-amine

Database IDs

• CAS Number: 50998-07-7
• MDL Number: MFCD06446933
• PubChem SID: 160982541
• PubChem CID: 11051670

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9105735
• LogD (pH = 7.4): -2.7202194
• 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%