ChemicalBook--->CAS DataBase List--->52338-87-1

52338-87-1

52338-87-1 Structure

52338-87-1 Structure
IdentificationBack Directory
[Name]

1,3-bis[3-(dimethylamino)propyl]urea
[CAS]

52338-87-1
[Synonyms]

Einecs 257-861-2
Niax* catalyst EF-700
bis(dimethylaminopropyl)urea
1,3-bis[3-(dimethylamino)propyl]urea
Urea, N,N-bis3-(dimethylamino)propyl-
N,N'-Bis[3-(dimethylamino)propyl]urea
1,3-Bis[3-(dimethylamino)propyl]harnstoff
1,3-bis[3-(dimethylamino)propyl]urea ISO 9001:2015 REACH
[EINECS(EC#)]

257-861-2
[Molecular Formula]

C11H26N4O
[MDL Number]

MFCD18970150
[MOL File]

52338-87-1.mol
[Molecular Weight]

230.35
Chemical PropertiesBack Directory
[Boiling point ]

377.8±27.0 °C(Predicted)
[density ]

0.962±0.06 g/cm3(Predicted)
[vapor pressure ]

4.799hPa at 21.1℃
[storage temp. ]

Sealed in dry,2-8°C
[pka]

14.12±0.46(Predicted)
[Appearance]

Colorless to light yellow Viscous Liquid
[Water Solubility ]

10g/L at 20℃
[InChI]

InChI=1S/C11H26N4O/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4/h5-10H2,1-4H3,(H2,12,13,16)
[InChIKey]

FCQPNTOQFPJCMF-UHFFFAOYSA-N
[SMILES]

N(CCCN(C)C)C(NCCCN(C)C)=O
[LogP]

-0.085 at 20℃
[EPA Substance Registry System]

N,N'-Bis[3-(dimethylamino)propyl]urea (52338-87-1)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P305+P351+P338-P310
[TSCA ]

TSCA listed
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-bis[3-(dimethylamino)propyl]urea(52338-87-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-Dimethylaminopropylamine

109-55-7

Urea

57-13-6

1,3-bis[3-(dimethylamino)propyl]urea

52338-87-1

A mixture of N,N-dimethyl-1,3-diaminopropane (51.09 g, 0.5 mol) and urea (15.01 g, 0.25 mol) was added to a round bottom flask. The reaction system was heated to 125 °C and kept under reflux with stirring for 8 hours. During the reaction, high purity nitrogen was continuously passed to bring out the generated ammonia and trap it by 30 wt% sulfuric acid solution. Upon completion of the reaction, a clarified colorless liquid product of 1,3-bis[3-(dimethylamino)propyl]urea (58.52 g, yield: 88.65%) was obtained.

[References]

[1] Journal of the Electrochemical Society, 2014, vol. 161, # 12, p. D651 - D656
[2] Journal of Organometallic Chemistry, 2005, vol. 690, # 11, p. 2757 - 2760
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