bis(3-aminopropyl)(phenyl)phosphane

• ChemBase ID: 302712
• Molecular Formular: C12H21N2P
• Molecular Mass: 224.282301
• Monoisotopic Mass: 224.14423531
• SMILES: c1ccc(cc1)P(CCCN)CCCN
• Canonical SMILES: NCCCP(c1ccccc1)CCCN
• InChI: InChI=1S/C12H21N2P/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,13-14H2
• InChIKey: OEHBMEXOPYWPKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3-aminopropyl)(phenyl)phosphane
• IUPAC Traditional name: bis(3-aminopropyl)(phenyl)phosphane
• Synonyms: Bis(3-aminopropyl)phenylphosphine; 双(3-氨丙基)苯基膦, 氩气下可重封的ChemSeal™瓶包装; 双(3-氨丙基)苯基膦

Database IDs

• CAS Number: 6775-01-5
• MDL Number: MFCD00014834

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.117962
• LogD (pH = 7.4): -4.1154385
• Log P: 0.6962
• Molar Refractivity: 67.5013 cm^3
• Polarizability: 27.187601 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 144°C/1mm
• Density: 1.03
• Refractive Index: 1.5728

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN3267
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 36/37/38
• Safety Statements: 26
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H314-H319-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Packaging: packaged under Argon in resealable ChemSeal? bottles