(3-aminopropyl)dimethylamine

• ChemBase ID: 107729
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: CN(C)CCCN
• Canonical SMILES: NCCCN(C)C
• InChI: InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3
• InChIKey: IUNMPGNGSSIWFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)dimethylamine
• IUPAC Traditional name: dimethylaminopropylamine
• Synonyms: N1,N1-dimethylpropane-1,3-diamine; Dimethylaminopropylamine; N,N-Dimethyl-1,3-diaminopropane; N,N-Dimethyl-1,3-propanediamine; 3-(Dimethylamino)-1-propylamine; N,N'-DIMETHYL-1,3-PROPANEDIAMINE; 3-Dimethylaminopropylamine; N,N-Dimethyl-1,3-propanediamine; N,N-二甲基-1,3-丙二胺; N,N-二甲基-1,3-二氨基丙烷; 3-二甲氨基-1-丙胺; N,N-二甲基-1,3-丙二胺

Database IDs

• CAS Number: 109-55-7
• EC Number: 203-680-9
• MDL Number: MFCD00008216
• Beilstein Number: 605293
• PubChem SID: 24864543; 24893443; 24854400; 162093704
• PubChem CID: 7993
• CHEMBL: 1232234
• Chemspider ID: 7703
• MeSH Name: 3-dimethylaminopropylamine
• Wikipedia Title: Dimethylaminopropylamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.453735
• LogD (pH = 7.4): -4.2942967
• Log P: -0.5468546
• Molar Refractivity: 32.8033 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless liquid
• Melting Point: -60°C; -70°C
• Boiling Point: 126-128°C; 132.05°C (405.2K); 133 °C(lit.); 135°C
• Flash Point: 32 °C; 32°C(89°F); 89.6 °F
• Density: 0.812 g/mL at 25 °C(lit.); 0.817 g/ml; 0.818; 812 mg mL^-1
• Refractive Index: 1.4350; 1.435–1.436; n20/D 1.435(lit.); n20/D 1.436
• Vapor Pressure: 0.7–2.4 kPa; 5 mmHg ( 20 °C)
• Vapor Density: 3.6 (vs air)
• Partition Coefficient: -0.211
• Odor: Ichtyal, ammoniacal
• Heat Capacity: 255.7 J K^-1 mol^-1
• Std enthalpy of combustion: -3.8955–-3.8875 MJ mol^-1
• Std enthalpy of formation: -76.9–-76.9 kJ mol^-1
• Std molar entropy: 323.0 J K^-1 mol^-1

Safety Information

• Storage Warning: Air Sensitive
• RTECS: TX7525000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2733; UN2734
• German water hazard class: 2
• Hazard Class: 3; 8
• Packing Group: 3; II
• Risk Statements: 10-22-34-43; R:10-22-34-43; r10, r22, r34, r43
• Safety Statements: 1/2-26-36/37/39-45; 26-36/37/39-45; S:26-45-36/37/39; s1/2, s26, s36/37/39, s45
• TSCA Listed: 是
• EU Index: 612-061-00-6
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07
• GHS Signal Word: DANGER; Danger
• LD50: 1.87 g kg^-1 (oral, rat); 487 mg kg^-1 (dermal, rabbit)
• Explode Limits: 2.3–12.36%
• GHS Hazard statements: 226, 302, 314, 317; H226-H302-H314-H317; H314-H226-H302-H317
• GHS Precautionary statements: 280, 305+351+338, 310; 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 2733 3/PG 3

Product Information

• Purity: ≥98.0% (GC); ≥99%; 99%
• Grade: purum
• Impurities: ≤2% water
• Linear Formula: (CH3)2N(CH2)3NH2

DETAILS

MP Biomedicals - 05204767

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D145009

Packaging
1 L in glass bottle
25, 500 mL in glass bottle

Sigma Aldrich - 39380

Other Notes
Industrial applications1

REFERENCES

• Useful for cleavage of N-alkylphthalimide derivatives to give primary amines, as an alternative to the carcinogenic methylhydrazine: Org. Synth. Coll., 9, 13, 16 (1993).