1-methoxypropan-2-amine

• ChemBase ID: 148151
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: CC(COC)N
• Canonical SMILES: COCC(N)C
• InChI: InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3
• InChIKey: NXMXETCTWNXSFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxypropan-2-amine
• IUPAC Traditional name: 1-methoxypropan-2-amine
• Synonyms: 2-Amino-1-methoxypropane; 2-Methoxyisopropylamine; 1-Methoxy-2-propylamine; (±)-1-Methoxy-2-propanamine; (±)-1-Methoxy-2-propylamine; 1-Methoxy-2-aminopropane; 1-Methoxy-2-propanamine; 1-Methoxy-2-propylamine; 1-Methoxyisopropylamine; 1-Methyl-2-methoxyethylamine; 2-Methoxy-1-methylethylamine; DL-Alaninol methyl ether; Methoxyisopropylamine; [1-(Methoxy)propan-2-yl]amine; DL-Alaninol Methyl Ether; 2-氨基-1-甲氧基丙烷; 2-甲氧基异丙胺; 1-甲氧基-2-丙胺

Database IDs

• CAS Number: 37143-54-7
• EC Number: 422-550-4
• MDL Number: MFCD00008084
• PubChem SID: 24891054; 162242328
• PubChem CID: 123458

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2594244
• LogD (pH = 7.4): -2.4717588
• Log P: -0.25585935
• Molar Refractivity: 25.3811 cm^3
• Polarizability: 10.314882 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Brown Syrup
• Boiling Point: 92.5-93.5 °C/743 mmHg(lit.)
• Flash Point: 48.2 °F; 9 °C
• Density: 0.845 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4065(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-22-34-52/53
• Safety Statements: 9-26-36/37/39-45-61
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314-H412
• GHS Precautionary statements: P210-P273-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 2733 3/PG 2

Product Information

• Purity: 95%
• Linear Formula: CH3OCH2CH(CH3)NH2

DETAILS

Sigma Aldrich - A61004

Packaging
5, 100 g in glass bottle

Toronto Research Chemicals - A510600

Used in the preparation of heterocyclic compounds, as integrase inhibiting antiviral agents.