(2-aminoethyl)(propyl)amine

• ChemBase ID: 110958
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: CCCNCCN
• Canonical SMILES: CCCNCCN
• InChI: InChI=1S/C5H14N2/c1-2-4-7-5-3-6/h7H,2-6H2,1H3
• InChIKey: CFNHVUGPXZUTRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(propyl)amine
• IUPAC Traditional name: (2-aminoethyl)(propyl)amine
• Synonyms: 2-n-PROPYLAMINOETHYLAMINE; 2-Propylaminoethylamine; N-Propylethylenediamine; 2-(n-Propylamino)ethylamine; N-(n-Propyl)ethylenediamine; N-正丙基乙二胺; N-丙基亚乙基二胺; N-正丙基乙二胺

Database IDs

• CAS Number: 111-39-7
• EC Number: 203-864-9
• MDL Number: MFCD00008172
• Beilstein Number: 1697232
• PubChem SID: 162097057; 24858652
• PubChem CID: 66073

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.958245
• LogD (pH = 7.4): -2.988919
• Log P: -0.11053193
• Molar Refractivity: 31.9158 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 147-150 °C(lit.); 147-150°C
• Flash Point: 113 °F; 45 °C; 45°C(113°F)
• Density: 0.829; 0.829 g/mL at 25 °C(lit.)
• Refractive Index: 1.4404; n20/D 1.441(lit.)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 2734; UN2733
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2; II
• Risk Statements: 10-34; 10-37/38
• Safety Statements: 23; 23-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H335; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2734 8/PG 2

Product Information

• Purity: ≥97%; 97%
• Linear Formula: CH3CH2CH2NHCH2CH2NH2

DETAILS

MP Biomedicals - 05217179

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 308145

Packaging
5 g in glass bottle