N-Deethylcyanazine

CAT: 0926-WAA72540Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-WAA72540Size:250 mg

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CAS Number

21725-40-6

Smiles

CC (C) (C#N) NC1=NC (=NC (=N1) N) Cl

Molecular Formula

C7H9ClN6

Molecular Weight

212.64 g/mol

Controlled

Chemical Information

2-[(4-Chloro-6-amino-1,3,5-triazin-2-yl)amino]-2-methylpropionitrile

CAS Number	21725-40-6
PubChem CID	14833492
IUPAC Name	2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanenitrile
Molecular Formula	C7H9ClN6
Molecular Weight	212.64
XLogP	1.2
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	246

SMILES

CC(C)(C#N)NC1=NC(=NC(=N1)N)Cl

InChI

InChI=1S/C7H9ClN6/c1-7(2,3-9)14-6-12-4(8)11-5(10)13-6/h1-2H3,(H3,10,11,12,13,14)

InChIKey

YYGZKUBHASBWQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21725-40-6

CID: 14833492

Formula: C7H9ClN6

MW: 212.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.64
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	212.0577220
Monoisotopic Mass	212.0577220
Topological Polar Surface Area	101 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	246
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
LBA74935-01	Deethylcyanazine acid
OH153454-01	N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
OH07433-01	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
FH171463-01	N, N, N', N', N'', N''-Hexamethoxymethylmelamine
FT00547-01	N, N, N', N'-Tetramethylenediamine
OT04211-01	N, N', N'', N'''-Tetraacetylchitotetraose
FT54997-01	N, N, N', N'-Tetraacetylethylenediamine
AAA15077-01	N, N, N', N'-Tetraethylethylenediamine
TFA35643-01	N, N, N', N'-Tetrapropylmalonamide
MDA89862-01	N, N, N', N'-Tetrabenzylpropanediamide

Catalog	Name
TRC-D953505-100MG	N-Deethylcyanazine amide
TRC-D953500-50MG	Deethylcyanazine acid
sc-222018B	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
OR9122-01	N, N, N', N', N'', N''-Hexamethylmethanetriamine
TRC-H290750-1MG	N,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
OR22662	N, N, N, N, N, N-hexaethylphosphinetricarboxamide
AR-O01213-01	N, N’, N’’, N’’’, N’’’’, N’’’’’-Hexaacetylchitohexaose
TRC-P225000-100MG	N,N’,N’’,N’’’,N’’’’-Pentaacetylchitopentaose
sc-255378A	N, N, N', N'', N''-Pentamethyldiethylenetriamine
OR1077740	N, N', N'', N''', N''''-Pentaacetylchitopentaose