dipropylamine

• ChemBase ID: 123384
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: N(CCC)CCC
• Canonical SMILES: CCCNCCC
• InChI: InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3
• InChIKey: WEHWNAOGRSTTBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipropylamine
• IUPAC Traditional name: dipropylamine
• Synonyms: dipropylamine; Dipropylamine; Di-n-propylamine; 二丙胺; 二正丙胺

Database IDs

• CAS Number: 142-84-7
• EC Number: 205-565-9
• MDL Number: MFCD00009362
• Beilstein Number: 505974
• Merck Index: 143343
• PubChem SID: 162217737; 24854403; 24893641
• PubChem CID: 8902
• Chemspider ID: 8562
• Wikipedia Title: Dipropylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6721437
• LogD (pH = 7.4): -1.4326271
• Log P: 1.5657822
• Molar Refractivity: 33.2386 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in diethyl ether
• Apperance: Colorless liquid
• Melting Point: -63.00°C (210.15K); -63°C
• Boiling Point: 105-110 °C(lit.); 108.85 - 110.85°C (382 - 384 K); 109-110°C
• Flash Point: 44.6 °F; 7 °C; 7°C(45°F)
• Auto Ignition Point: 280°C
• Density: 0.738; 0.738 g/mL at 25 °C(lit.); 738 mg mL^-1
• Refractive Index: 1.4049; 1.4050; n20/D 1.4049(lit.); n20/D 1.405
• Henry Constant: 190 μmol Pa^-1 kg^-1
• Odor: Ichtyal, ammoniacal
• Std enthalpy of combustion: -4.3515–-4.3489 MJ mol^-1
• Std enthalpy of formation: -156.1–-153.1 kJ mol^-1

Safety Information

• RTECS: JL9200000
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 2383; UN2383
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-35; r11, r20/21/22, r35
• Safety Statements: 1/2-16-26-36/37/39-45; 16-26-36/37/39-45; s1/2, s16, s26, s36/37/39, s45
• TSCA Listed: 是
• EU Index: 612-048-00-5
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07
• GHS Signal Word: DANGER; Danger
• LD50: 200–400 mg kg^-1 (rat)
• GHS Hazard statements: 225, 302, 312, 314, 332; H225-H302-H312-H314-H332; H225-H314-H302-H312-H332
• GHS Precautionary statements: 210, 280, 305+351+338, 310; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-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 2383 3/PG 2

Product Information

• Purity: ≥98.0% (GC); ≥99%; ≥99.0% (GC); 99%
• Grade: puriss.; purum
• Linear Formula: (CH3CH2CH2)2NH

DETAILS

Sigma Aldrich - D214752

Packaging
1 L in glass bottle
25, 500 mL in glass bottle