2-(4-chlorobenzylid...

2-(4-chlorobenzylidene)-N,N-dimethylhydrazinecarboxamide(CAS No. 5499-37-6)

2-(4-chlorobenzylidene)-N,N-dimethylhydrazinecarboxamide(CAS No. 5499-37-6)

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  • Purity: 99%
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Keywords

3-[(4-chlorophenyl)methylideneamino]-1,1-dimethyl-urea 5499-37-6 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
2-(4-chlorobenzylidene)-N,N-dimethylhydrazinecarboxamide
【CAS Registry number】
5499-37-6
【Synonyms】
AC1L7L5C
3-[(4-chlorophenyl)methylideneamino]-1,1-dimethylurea
【Molecular Formula】
C10H12ClN3O (Products with the same molecular formula)
【Molecular Weight】
225.6748
【Inchi】
InChI=1/C10H12ClN3O/c1-14(2)10(15)13-12-7-8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,13,15)
【Canonical SMILES】
CN(C)C(=O)NN=CC1=CC=C(C=C1)Cl
【MOL File】
5499-37-6.mol
Chemical and Physical Properties
【Density】
1.18g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.557
【Flash Point】
°C
【Computed Properties】
Molecular Weight:225.67478 [g/mol]
Molecular Formula:C10H12ClN3O
XLogP3-AA:1.8
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:225.06689
MonoIsotopic Mass:225.06689
Topological Polar Surface Area:44.7
Heavy Atom Count:15
Formal Charge:0
Complexity:235
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:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:2

 

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