3-(propan-2-yloxy)propan-1-amine

• ChemBase ID: 144833
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: CC(C)OCCCN
• Canonical SMILES: NCCCOC(C)C
• InChI: InChI=1S/C6H15NO/c1-6(2)8-5-3-4-7/h6H,3-5,7H2,1-2H3
• InChIKey: VHYUNSUGCNKWSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(propan-2-yloxy)propan-1-amine
• IUPAC Traditional name: 3-isopropoxypropan-1-amine
• Synonyms: IPOPA; 3-Isopropoxypropylamine; 3-异丙氧基丙胺; 3-异丙氧基丙基胺

Database IDs

• CAS Number: 2906-12-9
• EC Number: 220-816-2
• MDL Number: MFCD00008220
• PubChem SID: 24879084; 162239045
• PubChem CID: 76194

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8615515
• LogD (pH = 7.4): -2.3994825
• Log P: 0.16090834
• Molar Refractivity: 34.9951 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 149-151°C; 78-79 °C/85 mmHg(lit.)
• Flash Point: 102.2 °F; 39 °C; 42°C(108°F)
• Density: 0.840; 0.845 g/mL at 25 °C(lit.)
• Refractive Index: 1.4195; n20/D 1.4195(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2734; UN2733
• German water hazard class: 1
• Hazard Class: 3; 8
• Packing Group: 1; III
• Risk Statements: 10-34; 10-35
• Safety Statements: 16-23-26-27-36/37/39-45; 20-26-36/37/39-45-60
• TSCA Listed: 是
• 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 1

Product Information

• Purity: ≥98%; 98+%
• Linear Formula: (CH3)2CHO(CH2)3NH2

DETAILS

Sigma Aldrich - 550000

Packaging
100, 500 mL in glass bottle
2 L in glass bottle
Legal Information
Product of Arkema Inc.