(3-aminopropyl)diphenylphosphane

• ChemBase ID: 152007
• Molecular Formular: C15H18NP
• Molecular Mass: 243.283881
• Monoisotopic Mass: 243.11768621
• SMILES: c1ccc(cc1)P(CCCN)c1ccccc1
• Canonical SMILES: NCCCP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H18NP/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,16H2
• InChIKey: DQZWMOWSTWWMPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)diphenylphosphane
• IUPAC Traditional name: (3-aminopropyl)diphenylphosphane
• Synonyms: (3-Aminopropyl)diphenylphosphine; 3-(Diphenylphosphino)-1-propylamine; (3-氨丙基)二苯基膦; 3-(二苯基膦基)丙胺

Database IDs

• CAS Number: 16605-03-1
• MDL Number: MFCD00233832
• Beilstein Number: 2730850
• PubChem SID: 24867037; 162246153
• PubChem CID: 280677

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4647636
• LogD (pH = 7.4): 0.6809775
• Log P: 2.9014
• Molar Refractivity: 74.5621 cm^3
• Polarizability: 29.764063 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: ≥90% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C15H18NP

DETAILS

Sigma Aldrich - 43163

Packaging
1 g in glass bottle