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

• ChemBase ID: 10757
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: C1CCN(C1)CCCN
• Canonical SMILES: NCCCN1CCCC1
• InChI: InChI=1S/C7H16N2/c8-4-3-7-9-5-1-2-6-9/h1-8H2
• InChIKey: VPBWZBGZWHDNKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrrolidin-1-yl)propan-1-amine
• IUPAC Traditional name: 3-(pyrrolidin-1-yl)propan-1-amine
• Synonyms: (3-pyrrolidin-1-ylpropyl)amine; 3-(Pyrrolidin-1-yl)propan-1-amine; 1-Pyrrolidinepropylamine; 3-(1-Pyrrolidinyl)propylamine; 1-(3-Aminopropyl)pyrrolidine; 3-(1-Pyrrolidino)propylamine; 3-PYRROLIDINOPROPYLAMINE; 1-(3-氨丙基) 吡咯烷

Database IDs

• CAS Number: 23159-07-1
• EC Number: 245-465-2
• MDL Number: MFCD00014100
• Beilstein Number: 1191
• PubChem SID: 160974064
• PubChem CID: 31670

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.3874693
• LogD (pH = 7.4): -4.4817586
• Log P: -0.14105713
• Molar Refractivity: 40.3443 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 191-193°C; 78°C/ 15mm
• Density: 1.014
• Refractive Index: 1.4710

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: 20-26-36/37/39-45
• TSCA Listed: false; 是
• 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: 97%

DETAILS

MP Biomedicals - 05217244

MP Biomedicals Rare Chemical collection