tripentylamine

• ChemBase ID: 111436
• Molecular Formular: C15H33N
• Molecular Mass: 227.42922
• Monoisotopic Mass: 227.26130006
• SMILES: CCCCCN(CCCCC)CCCCC
• Canonical SMILES: CCCCCN(CCCCC)CCCCC
• InChI: InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3
• InChIKey: OOHAUGDGCWURIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tripentylamine
• IUPAC Traditional name: 1-pentanamine, N,N-dipentyl-
• Synonyms: TRIAMYLAMINE; Triamylamine, mixed isomers; Tripentylamine; 三戊胺异构体混合物; 三戊胺

Database IDs

• CAS Number: 621-77-2; 214290-37-6
• EC Number: 210-705-7
• MDL Number: MFCD00015270
• Beilstein Number: 1744528
• PubChem SID: 24870780; 162096646
• PubChem CID: 12133

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0006719
• LogD (pH = 7.4): 2.335816
• Log P: 5.4955726
• Molar Refractivity: 75.4119 cm^3
• Polarizability: 29.96544 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 81-83 °C/0.2 mmHg(lit.)
• Flash Point: 176 °F; 80 °C
• Density: 0.782 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.436(lit.)
• Vapor Pressure: 1 mmHg ( 20 °C)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-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: 98%; 99%
• Linear Formula: [CH3(CH2)4]3N

DETAILS

MP Biomedicals - 05219165

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 472034

Packaging
2 L in glass bottle
250 mL in glass bottle