(2-aminoethyl)(butyl)amine

• ChemBase ID: 91074
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: N(CCCC)CCN
• Canonical SMILES: CCCCNCCN
• InChI: InChI=1S/C6H16N2/c1-2-3-5-8-6-4-7/h8H,2-7H2,1H3
• InChIKey: DFPGBRPWDZFIPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(butyl)amine
• IUPAC Traditional name: (2-aminoethyl)(butyl)amine
• Synonyms: 2-Butylaminoethylamine 97%; N-Butylethylenediamine; N-4-(2-Aminoethyl)butylamine; 2-(n-Butylamino)ethylamine; N-(n-Butyl)ethylenediamine; N-丁基乙二胺; N-正丁基乙二胺

Database IDs

• CAS Number: 19522-69-1
• MDL Number: MFCD00025602
• Beilstein Number: 1732700
• PubChem SID: 162077778; 24871698
• PubChem CID: 519668

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.5356936
• LogD (pH = 7.4): -2.5455322
• Log P: 0.33403674
• Molar Refractivity: 36.5168 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 144-146°C; 170-171°C; 171-172 °C(lit.)
• Flash Point: 138.2 °F; 59 °C; 59°C(138°F)
• Density: 0.836; 0.836 g/mL at 25 °C(lit.)
• Refractive Index: 1.4430; n20/D 1.443(lit.)

Safety Information

• Storage Warning: Air Sensitive; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734; UN2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45; 26-27-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 2734 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)3NHCH2CH2NH2

DETAILS

Sigma Aldrich - 480592

Packaging
1, 5 g in glass bottle