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110-20-3

110-20-3 | 2-(Propan-2-ylidene);hydrazinecarboxamide

CAS No: 110-20-3 Catalog No: AG003NNA MDL No:MFCD00014785

Product Description

Catalog Number:
AG003NNA
Chemical Name:
2-(Propan-2-ylidene);hydrazinecarboxamide
CAS Number:
110-20-3
Molecular Formula:
C4H9N3O
Molecular Weight:
115.1338
MDL Number:
MFCD00014785
IUPAC Name:
(propan-2-ylideneamino)urea
InChI:
InChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChI Key:
HQDAJGNZGNZGCO-UHFFFAOYSA-N
SMILES:
NC(=O)NN=C(C)C
EC Number:
203-746-7
NSC Number:
456

Properties

Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.075g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
115.136g/mol
Monoisotopic Mass:
115.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  

Literature

Title Journal
(2E)-2-[(3E)-4-Phenyl-but-3-en-2-yl-idene]hydrazinecarboxamide. Acta crystallographica. Section E, Structure reports online 20120101
Spectroscopic evaluation of manganese(II) complexes derived from semicarbazones and thiosemicarbazones. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050901

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