propan-2-amine

• ChemBase ID: 104208
• Molecular Formular: C3H9N
• Molecular Mass: 59.11026
• Monoisotopic Mass: 59.07349929
• SMILES: CC(C)N
• Canonical SMILES: CC(N)C
• InChI: InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3
• InChIKey: JJWLVOIRVHMVIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-amine
• IUPAC Traditional name: isopropylamine
• Synonyms: Isopropylamine; 2-Propylamine; 2-Aminopropane; ISOPROPYLAMINE; 2-氨基丙烷; 异丙胺; 异丙基胺

Database IDs

• CAS Number: 75-31-0
• EC Number: 200-860-9
• MDL Number: MFCD00008082
• Beilstein Number: 605259
• Merck Index: 145209
• PubChem SID: 24869557; 24881434; 24867934; 24870715; 162092183
• PubChem CID: 6363
• CHEBI ID: 15739
• CHEMBL: 117080
• Chemspider ID: 6123
• KEGG ID: C06748
• MeSH Name: 2-propylamine
• Unique Ingredient Identifier: P8W26T4MTD
• Wikipedia Title: Isopropylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.879705
• LogD (pH = 7.4): -2.5821686
• Log P: 0.14792411
• Molar Refractivity: 19.0862 cm^3
• Polarizability: 7.800994 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: APHA: ≤50; Colourless liquid
• Melting Point: -101 °C; -101 °C; -101°C; -95.20°C (177.95K)
• Boiling Point: 30.85 - 34.85°C (304 - 308 K); 31 °C at 1013 hPa; 32-35 °C; 33-34 °C(lit.); 33-34°C
• Flash Point: -.4 °F; -18 °C; -32°C(-25°F); -37 °C (closed cup and DIN 51755)
• Auto Ignition Point: 402 °C at 1013 hPa; 402°C; 755 °F
• Density: .687 g/cm^3 at 20 °C; 0.688 g/mL at 20 °C(lit.); 0.691; 0.694 g/mL at 25 °C; 722 mg mL^-1
• Refractive Index: 1.3742; 1.3750; n20/D 1.374; n20/D 1.374(lit.)
• Vapor Pressure: 625 hPa at 20 °C; 63.41 kPa (at 20 °C); 9.2 psi ( 20 °C)
• Vapor Density: 2.03 (air = 1); 2.04 (vs air)
• Partition Coefficient: 0.391
• Odor: "Fishy"; ammoniacal
• Heat Capacity: 163.85 J K^-1 mol^-1
• Std enthalpy of combustion: -2.3540–-2.3550 MJ mol^-1
• Std enthalpy of formation: -113.0–-111.6 kJ mol^-1
• Std molar entropy: 218.32 J K^-1 mol^-1

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Air Sensitive
• RTECS: NT8400000
• European Hazard Symbols: Highly flammable (F+); Irritant (Xi)
• UN Number: 1221; UN1221
• German water hazard class: 1
• Hazard Class: 3; 8
• Packing Group: 1; I
• Australian Hazchem: 2WE
• Risk Statements: 12-36/37/38; R:12-36/37/38; R12, R36/37/38
• Safety Statements: 16-26-29; S:16-26-29; S2, S16, S26, S29
• EU Classification: FC
• EU Hazard Identification Number: 8A
• Emergency Response Guidebook(ERG) Number: 132
• TSCA Listed: 是
• EU Index: 612-007-00-1
• GHS Pictograms: GHS exclamation mark; GHS flame; GHS02; GHS07
• GHS Signal Word: DANGER; Danger
• LD50: 380 mg kg^-1 (dermal, rabbit); 550 mg kg^-1 (oral, rat)
• Explode Limits: 10.4 %; 2–10.4%
• GHS Hazard statements: 224, 315, 319, 335; H224-H315-H319-H335
• GHS Precautionary statements: 210, 261, 305+351+338; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1221 3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ~99% (GC); ≥97.0% (GC); ≥99.0%; ≥99.5%; ≥99.5% (GC); 99%; 99+%
• Grade: analytical standard, for environmental analysis; puriss.; SAJ special grade
• Packaging: ampule of 1000 mg
• Impurities: ≤0.1% water; ≤0.5% water; ≤3% water
• Quality: anhydrous
• Linear Formula: (CH3)2CHNH2

DETAILS

MP Biomedicals - 02155111

(2-Aminopropane) Purity: 99% 1 ml = approx. 0.69 g

Sigma Aldrich - 320366

Packaging
1 L in PVC coated

Sigma Aldrich - 543977

Legal Information
Product of Arkema Inc.

Sigma Aldrich - 59330

Packaging
1, 2.5 L in glass bottle

Sigma Aldrich - 471291

Packaging
1, 2 L in glass bottle
18 L in comp drum
25, 250 mL in glass bottle