47S

3-(dimethylamino)benzohydrazide

Created:	2015-02-11
Last modified:	2016-03-02

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3 entries where 47S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of 47S

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Chemical Component Summary
Name	3-(dimethylamino)benzohydrazide
Systematic Name (OpenEye OEToolkits)	3-(dimethylamino)benzohydrazide
Formula	C₉ H₁₃ N₃ O
Molecular Weight	179.219
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cc(N(C)C)ccc1)NN
SMILES	CACTVS	3.385	CN(C)c1cccc(c1)C(=O)NN
SMILES	OpenEye OEToolkits	1.9.2	CN(C)c1cccc(c1)C(=O)NN
Canonical SMILES	CACTVS	3.385	CN(C)c1cccc(c1)C(=O)NN
Canonical SMILES	OpenEye OEToolkits	1.9.2	CN(C)c1cccc(c1)C(=O)NN
InChI	InChI	1.03	InChI=1S/C9H13N3O/c1-12(2)8-5-3-4-7(6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
InChIKey	InChI	1.03	UBSSYVLPIDYZJC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2063353

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