(E)-N,N'-dipropylbu...

(E)-N,N'-dipropylbut-2-enediamide 5240-49-3

(E)-N,N'-dipropylbut-2-enediamide 5240-49-3

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N,N-dipropylbut-2-enediamide (E)-N,N'-dipropylbut-2-enediamide 5240-49-3

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  • Appearance:Liquid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
N,N'-dipropylbut-2-enediamide
【CAS Registry number】
5240-49-3
【Synonyms】
AC1L7SAD
N,N'
-dipropylbut-2-enediamide
【Molecular Formula】
C10H18N2O2 (Products with the same molecular formula)
【Molecular Weight】
198.2621
【Inchi】
InChI=1/C10H18N2O2/c1-3-7-11-9(13)5-6-10(14)12-8-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,13)(H,12,14)
【Canonical SMILES】
CCCNC(=O)C=CC(=O)NCCC
【MOL File】
5240-49-3.mol
Chemical and Physical Properties
【Density】
0.995g/cm3
【Boiling Point】
425.2°C at 760 mmHg
【Refractive Index】
1.471
【Flash Point】
179.4°C
【Computed Properties】
Molecular Weight:198.26212 [g/mol]
Molecular Formula:C10H18N2O2
XLogP3-AA:0.8
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:6
Tautomer Count:3
Exact Mass:198.136828
MonoIsotopic Mass:198.136828
Topological Polar Surface Area:58.2
Heavy Atom Count:14
Formal Charge:0
Complexity:190
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:2
Effective Rotor Count:8
Conformer Sampling RMSD:0.8
CID Conformer Count:43

 

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