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Dacarbazine

CAT: 1596-AR-D01068-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D01068-04Size:100 Units
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CAS Number
4342-03-4
Synonyms
5- (3,3-Dimethyl-1-triazenyl) imidazole-4-carboxamide
Molecular Formula
C6H10N6O
Molecular Weight
182.19
API Name
Dacarbazine

Chemical Information

Dacarbazine

Dacarbazine can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number4342-03-4
PubChem CID135398738
IUPAC Name4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide
Molecular FormulaC6H10N6O
Molecular Weight182.18
XLogP-0.6
Topological Polar Surface Area99.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity215
SMILES
CN(C)/N=N/C1=C(NC=N1)C(=O)N
InChI
InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+
InChIKey
FDKXTQMXEQVLRF-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of Dacarbazine
CAS: 4342-03-4
CID: 135398738
Formula: C6H10N6O
MW: 182.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.18
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass182.09160896
Monoisotopic Mass182.09160896
Topological Polar Surface Area99.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
D075-1GDacarbazine

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