propan-1-amine

• ChemBase ID: 77706
• Molecular Formular: C3H9N
• Molecular Mass: 59.11026
• Monoisotopic Mass: 59.07349929
• SMILES: NCCC
• Canonical SMILES: CCCN
• InChI: InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
• InChIKey: WGYKZJWCGVVSQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-1-amine
• IUPAC Traditional name: n-propylamine; propylamine
• Synonyms: 1-Propylamine; 1-Aminopropane; N-Propylamine; Propylamine; n-Propylamine; Propan-1-aMine; Propylamine; 1-丙基胺; 1-氨基丙烷; 正丙胺

Database IDs

• CAS Number: 62484-29-1; 107-10-8
• EC Number: 203-462-3
• MDL Number: MFCD00008205
• Beilstein Number: 1098243
• Merck Index: 147843
• PubChem SID: 24901988; 24854446; 162042577; 24846939
• PubChem CID: 7852
• CHEBI ID: 39870
• CHEMBL: 14409
• Chemspider ID: 7564
• FEMA ID: 4237
• Gmelin ID: 1529
• Wikipedia Title: Propylamine
• Flavis Number: 11.004

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7702847
• LogD (pH = 7.4): -2.355427
• Log P: 0.25387147
• Molar Refractivity: 19.1914 cm^3
• Polarizability: 7.800994 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: Colorless liquid; Liquid
• Melting Point: -83 °C(lit.); -83°C; -83.00°C (190.15K); -83°C
• Boiling Point: 46.85 - 50.85°C (320 - 324 K); 48 °C(lit.); 48°C; 48-49°C
• Flash Point: -12°C(10°F); -22 °F; -30 °C
• Auto Ignition Point: 604 °F
• Density: 0.719; 0.719 g/mL at 25 °C(lit.); 719 mg mL^–1
• Refractive Index: 1.388; 1.389; n20/D 1.388; n20/D 1.388(lit.)
• Vapor Pressure: 33.01 kPa (at 20 °C); 4.79 psi ( 20 °C)
• Vapor Density: 2 (vs air)
• Partition Coefficient: 0.547
• Henry Constant: 660 μmol Pa^-1 kg^-1
• Odor: fishy, ammoniacal
• Heat Capacity: 162.51 J K^-1 mol^-1
• Std enthalpy of combustion: -2.368–-2.362 MJ mol^-1
• Std enthalpy of formation: -101.9–-101.1 kJ mol^-1
• Std molar entropy: 227.44 J K^-1 mol^-1

Safety Information

• Storage Warning: Air Sensitive; Flammable/Corrosive
• RTECS: UH9100000
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 1277; UN1277
• German water hazard class: 1; 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-34; 11-20/21/22-35; 11-20/22-34; R11, R20/21/22, R34
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45; 9-16-20-26-36/37/39-45; 9-16-20-26-36/37/39-45-60; S26, S36/37/39, S45
• TSCA Listed: 是
• GHS Pictograms: GHS corrosion; GHS flame; GHS skull and crossbones; GHS02; GHS05; GHS06
• GHS Signal Word: DANGER; Danger
• LD50: 370 mg kg^-1 (oral, rat); 402.6 mg kg^-1 (dermal, rabbit)
• Explode Limits: 10.4 %; 2–10.4%
• GHS Hazard statements: 225, 302, 311, 314, 331; H225-H301-H311-H332-H314-H318; H225-H301-H332-H314-H318; H225-H302-H311 + H331-H314; H225-H302-H311-H314-H331
• GHS Precautionary statements: 210, 261, 280, 305+351+338, 310; P210-P261-P280-P305 + P351 + P338-P310; P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1277 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99%; ≥99.0% (GC); 98%; 99+%
• Grade: purum
• Linear Formula: CH3CH2CH2NH2

DETAILS

Sigma Aldrich - 109819

Packaging
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - W423701

Packaging
20 kg in comp drum
8 kg in steel drum

Sigma Aldrich - 240958

Packaging
50 mL in glass bottle