4-(pyrrolidin-1-yl)butan-1-amine

• ChemBase ID: 10758
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1CCN(C1)CCCCN
• Canonical SMILES: NCCCCN1CCCC1
• InChI: InChI=1S/C8H18N2/c9-5-1-2-6-10-7-3-4-8-10/h1-9H2
• InChIKey: LSDYCEIPEBJKPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidin-1-yl)butan-1-amine
• IUPAC Traditional name: 4-(pyrrolidin-1-yl)butan-1-amine
• Synonyms: 1-Pyrrolidinebutylamine; 4-(1-Pyrrolidino)-1-butylamine; 4-(1-Pyrrolidinyl)-1-butylamine; 4-(pyrrolidin-1-yl)butan-1-amine; 4-(1-Pyrrolidino)butylamine; 4-吡咯烷丁胺

Database IDs

• CAS Number: 24715-90-0
• MDL Number: MFCD00192591
• PubChem SID: 160974065
• PubChem CID: 2762762

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.126383
• LogD (pH = 7.4): -5.0095487
• Log P: 0.37630552
• Molar Refractivity: 44.9889 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 97°C/ 15mm
• Hydrophobicity(logP): 0.522

Safety Information

• Storage Warning: Air Sensitive; CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 98%