1-(dimethylamino)propan-2-ol

• ChemBase ID: 108351
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: CC(O)CN(C)C
• Canonical SMILES: CN(CC(O)C)C
• InChI: InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3
• InChIKey: NCXUNZWLEYGQAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethylamino)propan-2-ol
• IUPAC Traditional name: dimepranol
• Synonyms: 1-Dimethylamino-2-propanol; N,N-Dimethylisopropanolamine; 1-Dimethylamino-2-propanol; 1-Dimethylamino-2-propanol solution; 1-DIMETHYLAMINO-3-PROPANOL; N,N-二甲基异丙醇胺; 1-二甲氨基-2-丙醇; 1-二甲基氨基-2-丙醇; 1-二甲氨基-2-丙醇 溶液

Database IDs

• CAS Number: 108-16-7
• EC Number: 203-556-4
• MDL Number: MFCD00004532
• Beilstein Number: 1209244
• PubChem SID: 162094292; 24870740; 24864496; 24870648
• PubChem CID: 37511

CALCULATED PROPERTIES

• Acid pKa: 15.28882
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3832693
• LogD (pH = 7.4): -1.9106687
• Log P: -0.08335752
• Molar Refractivity: 30.6992 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -85°C
• Boiling Point: 121-127 °C(lit.); 123-126°C; 96 °C
• Flash Point: 26 °C; 35 - 37 °C; 35°C(95°F); 78.8 °F; 95 - 98.6 °F
• Density: 0.837 g/mL at 25 °C(lit.); 0.85; 0.913 g/mL at 25 °C
• Refractive Index: 1.4195; n20/D 1.419(lit.); n20/D 1.42; n20/D 1.420
• Vapor Pressure: 8 mmHg ( 20 °C)
• Vapor Density: 3.6 (vs air)

Safety Information

• Storage Warning: Air Sensitive
• RTECS: UB3150000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2734; UN2734
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-22-34; R:10-22-34
• Safety Statements: 23-26-36-45; 26-36/37/39-45; S:23-26-36-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H314; H226-H314; H314-H226-H302
• 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 2

Product Information

• Purity: ≥98.0% (GC); ≥99%; 98%; 99%
• Concentration: 77 wt. % in H2O
• Grade: purum
• Linear Formula: (CH3)2NCH2CH(OH)CH3; CH3CH(OH)CH2N(CH3)2

DETAILS

MP Biomedicals - 05207055

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 471526

Packaging
250 mL in glass bottle

Sigma Aldrich - 470228

Packaging
2 kg in glass bottle
25, 250 g in glass bottle