N-Phenylcyanamide

CAT: 0127-OR45177Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR45177Size:1 g

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CAS Number

622-34-4

MDL Number

MFCD00235035

Purity

=95%

Smiles

N#CNc1ccccc1

Storage Conditions

Store at -20°C

Chemical Information

Phenylcyanamide

CAS Number	622-34-4
PubChem CID	69318
IUPAC Name	phenylcyanamide
Molecular Formula	C7H6N2
Molecular Weight	118.14
XLogP	1.9
Topological Polar Surface Area	35.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	116

SMILES

C1=CC=C(C=C1)NC#N

InChI

InChI=1S/C7H6N2/c8-6-9-7-4-2-1-3-5-7/h1-5,9H

InChIKey

JLXXLCJERIYMQG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 622-34-4

CID: 69318

Formula: C7H6N2

MW: 118.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.14
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	118.053098200
Monoisotopic Mass	118.053098200
Topological Polar Surface Area	35.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	116
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

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Catalog	Name
AAA62234-01	N-Phenylcyanamide
OH153454-01	N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
297193-01	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
TRC-H290750-10MG	N,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
FH171463-01	N, N, N', N', N'', N''-Hexamethoxymethylmelamine
AR-O01213-01	N, N’, N’’, N’’’, N’’’’, N’’’’’-Hexaacetylchitohexaose
sc-255378	N, N, N', N'', N''-Pentamethyldiethylenetriamine
TRC-P225000-100MG	N,N’,N’’,N’’’,N’’’’-Pentaacetylchitopentaose
FT54997-01	N, N, N', N'-Tetraacetylethylenediamine
AAA15077-01	N, N, N', N'-Tetraethylethylenediamine