propane-1,2-diamine

• ChemBase ID: 110698
• Molecular Formular: C3H10N2
• Molecular Mass: 74.1249
• Monoisotopic Mass: 74.08439833
• SMILES: CC(N)CN
• Canonical SMILES: NCC(N)C
• InChI: InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3
• InChIKey: AOHJOMMDDJHIJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propane-1,2-diamine
• IUPAC Systematic name: Propane-1,2-diamine
• IUPAC Traditional name: propylenediamine
• Synonyms: 1,2-Diaminopropane; Propylenediamine; propane-1,2-diamine; 1,2-DIAMINOPROPANE; 1,2-Propanediamine; Propylenediamine; 1,2-Diaminopropane; 1,2-二氨基丙烷; 丙二胺; 1,2-丙二胺; 丙二胺; 1,2-二氨基丙烷

Database IDs

• CAS Number: 78-90-0
• EC Number: 201-155-9
• MDL Number: MFCD00008089
• Beilstein Number: 605274
• PubChem SID: 162089260; 24847332
• PubChem CID: 6567
• CHEBI ID: 30630
• Chemspider ID: 13849260
• Gmelin ID: 25709
• MeSH Name: 1,2-diaminopropane
• Wikipedia Title: 1,2-Diaminopropane

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.630061
• LogD (pH = 7.4): -3.5205479
• Log P: -1.0058676
• Molar Refractivity: 22.2874 cm^3
• Polarizability: 9.319206 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless liquid
• Melting Point: -12°C; -37.15°C (236.0K)
• Boiling Point: 117°C; 119.55°C (392.7K); 119-120 °C(lit.); 120-122 °C(lit.)
• Flash Point: 34 °C; 93.2 °F
• Auto Ignition Point: 360 °C; 680 °F
• Density: 0.868 g/mL at 20 °C(lit.); 0.87 g/mL at 25 °C(lit.); 0.89 g/ml; 870 mg mL^-1
• Refractive Index: 1.446; n20/D 1.446; n20/D 1.446(lit.)
• Vapor Pressure: 1.9 Pa (at 20 °C); 14 mmHg ( 20 °C)
• Vapor Density: 2.6 (vs air)
• Odor: Fishy, ammoniacal
• Heat Capacity: 205.64 J K^-1 mol^-1
• Std enthalpy of combustion: -2.5122–-2.5116 MJ mol^-1
• Std enthalpy of formation: -98.2–-97.4 kJ mol^-1
• Std molar entropy: 247.27 J K^-1 mol^-1

Safety Information

• RTECS: TX6650000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2258
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-21/22-35; R:10-21/22-35; R10, R21/22, R35
• Safety Statements: 26-37/39-45; S:26-45-37/39; S26, S37/39, S45
• EU Index: 612-100-00-7
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07
• GHS Signal Word: DANGER; Danger
• LD50: 2.23 g kg^-1 (oral, rat); 434 mg kg^-1 (dermal, rabbit)
• Explode Limits: 1.9–11.1%; 11.1 %
• GHS Hazard statements: 226, 302, 312, 314; H226-H302-H312-H314
• GHS Precautionary statements: 280, 305+351+338, 310; 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 2258 8/PG 2

Product Information

• Purity: ≥98.0% (GC); ≥99%; ≥99.0% (GC); 99%
• Grade: puriss.; purum
• Impurities: ≤0.5% water
• Linear Formula: CH3CH(NH2)CH2NH2

DETAILS

MP Biomedicals - 05215962

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 117498

Packaging
100, 500 g in glass bottle
2 kg in glass bottle