dihexylamine

• ChemBase ID: 74496
• Molecular Formular: C12H27N
• Molecular Mass: 185.34948
• Monoisotopic Mass: 185.21434987
• SMILES: N(CCCCCC)CCCCCC
• Canonical SMILES: CCCCCCNCCCCCC
• InChI: InChI=1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3
• InChIKey: PXSXRABJBXYMFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dihexylamine
• IUPAC Traditional name: 1-hexanamine, N-hexyl-
• Synonyms: Dihexylamine; Di-n-hexylamine; Di-n-hexylamine; DI-n-HEXYLAMINE PRACTICAL GRADE; dihexylamine; 二己胺

Database IDs

• CAS Number: 143-16-8
• EC Number: 205-588-4
• MDL Number: MFCD00009521
• Beilstein Number: 1738519
• PubChem SID: 162039415; 24848001
• PubChem CID: 8920

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.99541706
• LogD (pH = 7.4): 1.2415328
• Log P: 4.2331944
• Molar Refractivity: 60.8446 cm^3
• Polarizability: 24.42432 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 3°C
• Boiling Point: 192-195 °C(lit.); 236°C
• Flash Point: 104°C(219°F); 203 °F; 95 °C
• Density: 0.790; 0.795 g/mL at 25 °C(lit.)
• Refractive Index: 1.4335; n20/D 1.432(lit.)
• Vapor Density: 6.4 (vs air)
• Hydrophobicity(logP): 4.772

Safety Information

• RTECS: IH6600000
• European Hazard Symbols: Corrosive (C); Toxic (T); Highly toxic (T+)
• UN Number: 2922; UN2927
• German water hazard class: 2
• Hazard Class: 6.1; 8
• Packing Group: 2; I
• Risk Statements: 22-24-34; 25-26/27-34; R:22-27-34
• Safety Statements: 26-36/37/39-45; 4-9-20-26-27/28-36/37/39-45; S:27/28-29-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H311-H314-H400; H310-H330-H302-H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A; P273-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 2922 8/PG 2

Product Information

• Purity: 95%; 97%; 98+%
• Grade: PRACTICAL
• Linear Formula: [CH3(CH2)5]2NH

DETAILS

MP Biomedicals - 05207009

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 131202

Packaging
100, 500 mL in glass bottle