3-methoxypropan-1-amine

• ChemBase ID: 123335
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: NCCCOC
• Canonical SMILES: COCCCN
• InChI: InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3
• InChIKey: FAXDZWQIWUSWJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxypropan-1-amine
• IUPAC Traditional name: 3-methoxypropylamine
• Synonyms: 3-methoxypropan-1-amine; 1-Amino-3-methoxypropane; 3-Methoxypropylamine; 1-氨基-3-甲氧基丙烷; 3-甲氧基丙胺; 3-甲氧基丙基胺

Database IDs

• CAS Number: 5332-73-0
• EC Number: 226-241-3
• MDL Number: MFCD00014831
• Beilstein Number: 878144
• PubChem SID: 162217688; 24886414; 24896734; 24883927
• PubChem CID: 1672

CALCULATED PROPERTIES

• LogD (pH = 5.5): -3.634935
• LogD (pH = 7.4): -3.1728754
• Log P: -0.6124746
• Molar Refractivity: 25.8277 cm^3
• Polarizability: 10.314882 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: <-70°C
• Boiling Point: 117-118 °C/733 mmHg(lit.); 117-119°C
• Flash Point: 27 °C; 27°C(81°F); 80.6 °F
• Auto Ignition Point: 518 °F
• Density: 0.871 g/mL at 20 °C; 0.872; 0.874 g/mL at 25 °C(lit.)
• Refractive Index: 1.4175; n20/D 1.417; n20/D 1.417(lit.)
• Vapor Pressure: 20 mmHg ( 30 °C)
• Vapor Density: 3.07 (vs air)

Safety Information

• RTECS: UI3335000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2734; UN2734
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-22-35-43; 10-34
• Safety Statements: 23-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H301-H317-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-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 2

Product Information

• Purity: ≥99.0% (GC); ≥99.8% (GC); 99%
• Grade: puriss.; puriss. p.a.
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3O(CH2)3NH2

DETAILS

Sigma Aldrich - M25007

Packaging
1 L in glass bottle
25 mL in glass bottle