(3-aminopropyl)dibutylamine

• ChemBase ID: 108628
• Molecular Formular: C11H26N2
• Molecular Mass: 186.33754
• Monoisotopic Mass: 186.20959884
• SMILES: CCCCN(CCCC)CCCN
• Canonical SMILES: CCCCN(CCCN)CCCC
• InChI: InChI=1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3
• InChIKey: KYCGURZGBKFEQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)dibutylamine
• IUPAC Traditional name: (3-aminopropyl)dibutylamine
• Synonyms: 3-(Di-n-butylamino)propylamine; N,N-Di-n-butyl-1,3-propylenediamine; N,N-Dibutyl-1,3-propanediamine; 3-(Dibutylamino)propylamine; 3-(DIBUTYLAMINO)-n-PROPYLAMINE; N1,N1-Dibutylpropane-1,3-diamine; N,N-二正丁基-1,3-丙二胺; N,N-二丁基-1,3-丙二胺; 3-二丁氨基丙胺

Database IDs

• CAS Number: 102-83-0
• EC Number: 203-059-2
• MDL Number: MFCD00008219
• Beilstein Number: 635829
• PubChem SID: 24893885; 162094696
• PubChem CID: 1626

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8701694
• LogD (pH = 7.4): -1.912627
• Log P: 2.1009433
• Molar Refractivity: 60.5505 cm^3
• Polarizability: 24.093277 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -70°C
• Boiling Point: 204-206°C; 205 °C(lit.)
• Flash Point: 104 °C; 104°C(219°F); 219.2 °F
• Density: 0.827 g/mL at 25 °C(lit.); 0.830
• Refractive Index: 1.4463; n20/D 1.4463(lit.)

Safety Information

• Storage Warning: Air Sensitive
• RTECS: TX7175000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 2922; UN2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 22-24-34; 34; R:22-27-34
• Safety Statements: 26-36/37/39-45; S:27/28-29-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H311-H314; H311-H302-H314-H318
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-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 3

Product Information

• Purity: 95+%; 97%; 98%
• Linear Formula: [CH3(CH2)3]2N(CH2)3NH2

DETAILS

MP Biomedicals - 05208127

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D45606

Packaging
25 g in glass bottle