1,4-Diphenylsemicarbazide

CAT: 0926-AAA62112Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-AAA62112Size:5 g

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CAS Number

621-12-5

MDL Number

MFCD00020635

Smiles

C1=CC=C (C=C1) NC (=O) NNC2=CC=CC=C2

Molecular Formula

C13H13N3O

Molecular Weight

227.27 g/mol

Controlled

Chemical Information

Hydrazinecarboxamide, N,2-diphenyl-

CAS Number	621-12-5
PubChem CID	69299
IUPAC Name	1-anilino-3-phenylurea
Molecular Formula	C13H13N3O
Molecular Weight	227.26
XLogP	2.8
Topological Polar Surface Area	53.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	233

SMILES

C1=CC=C(C=C1)NC(=O)NNC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O/c17-13(14-11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16,17)

InChIKey

NGZZNUMYERKSQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 621-12-5

CID: 69299

Formula: C13H13N3O

MW: 227.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.26
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	227.105862047
Monoisotopic Mass	227.105862047
Topological Polar Surface Area	53.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	233
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FQ43601-01	1,1':4',1'':4'',1'''-Quaterphenyl
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AAA71302-01	4,4,4-Trifluoro-1-phenylbutan-1-one
NIA48097	4-Piperidinol, 4- (4-bromophenyl) -, hydrochloride (1:1)
BHB15087-01	1,4,4-Trimethylcyclohexan-1-amine
RBA88596-01	1- (4-Methylphenyl) -1,4-diazepane
QHB65087-01	1- (4-Methoxybenzoyl) -1,4-diazepane
MCA38130-01	1,4-Dicyclopropylbutane-1,4-dione
BLB27340-01	1- (4-Fluorobenzenesulfonyl) -1,4-diazepane
DAA55799-01	1- (4-Nitrophenyl) 1,4-benzenedicarboxylate

Catalog	Name
OR1030218-01	1,4-Diphenylsemicarbazide
D52270	4,4-Diphenylsemicarbazide 98%
OR1008855-01	[1,1:4,1:4,1:4,1:4,1-Sexiphenyl]-4,4-Dicarboxylic Acid
OR81165-01	[1,1':4',1'':4'',1'''-quaterphenyl]-4,4'''-dicarbaldehyde
110677-45-7	[1,1',4',1",4",1-Quaterphenyl]-4,4'''-dicarbonaldehyde
OR76183-01	[1,1':4',1'':4'',1'''-Quaterphenyl]-4,4'''-diamine
PC4652-01	1,1,1,4,4,4-Hexafluorobutane
OR1008856-01	[1,1':4',1'':4'',1'''-Quaterphenyl]-4,4'''-Dicarboxylic Acid
OR1061485-01	4-Bromo-1,1':4',1'':4'',1'''-quaterphenyl
TRC-Q872650-50MG	[1,1′:4′,1′′:4′′,1′′′-Quaterphenyl]-4-thiol.