(2-aminopropyl)dimethylamine

• ChemBase ID: 10706
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: N(CC(C)N)(C)C
• Canonical SMILES: CN(CC(N)C)C
• InChI: InChI=1S/C5H14N2/c1-5(6)4-7(2)3/h5H,4,6H2,1-3H3
• InChIKey: RRQHLOZQFPWDCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminopropyl)dimethylamine
• IUPAC Traditional name: (2-aminopropyl)dimethylamine
• Synonyms: 1-(Dimethylamino)isopropylamine; N′,N′-Dimethylpropylenediamine; 1-Dimethylamino-2-propylamine; N′,N′-二甲基丙二胺; 1-二甲氨基-2-丙胺

Database IDs

• CAS Number: 108-15-6
• EC Number: 203-555-9
• MDL Number: MFCD00014812
• Beilstein Number: 969185
• PubChem SID: 24881205; 24864535; 160974013
• PubChem CID: 99027

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9487767
• LogD (pH = 7.4): -2.7205257
• Log P: -0.19023933
• Molar Refractivity: 32.3567 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 113 °C(lit.); 113°C-115°C
• Flash Point: 35 °C; 95 °F
• Density: 0.792 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.421; n20/D 1.421(lit.)

Safety Information

• Storage Warning: CORROSIVE
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 11-22-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H314
• GHS Precautionary statements: 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: ≥97.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: CH3CH(NH2)CH2N(CH3)2

DETAILS

Sigma Aldrich - 588180

Packaging
10 g in glass bottle