AG00E90T

5637-42-3 | N-(4-Cyanophenyl)guanidine

AG00E90T

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CAS Number	5637-42-3
Catalog Number	AG00E90T(AGN-PC-0SLJ9K)
Chemical Name	N-(4-Cyanophenyl)guanidine
EC Number	611-382-9
IUPAC Name	2-(4-cyanophenyl)guanidine
InChI	InChI=1S/C8H8N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4H,(H4,10,11,12)
InChI Key	BTDGLZSKNFJBER-UHFFFAOYSA-N
MDL Number	MFCD16251323
Molecular Formula	C8H8N4
Molecular Weight	160.1759
SMILES	NC(NC1=CC=C(C#N)C=C1)=N
Synonyms	1-(4-Cyanophenyl)guanidine, 5637-42-3, N-(4-CYANOPHENYL)GUANIDINE, MFCD16251323, 2-(4-cyanophenyl)guanidine, 4-Cyanophenylguanidine, 4-guanidinobenzonitrile, (4-cyanophenyl)guanidine, SCHEMBL247051, 4-CYANOPHENYL GUANIDINE, N''-(4-Cyanophenyl)guanidine, CTK5A5050, DTXSID90589935, BTDGLZSKNFJBER-UHFFFAOYSA-N, ANW-60210, ZINC44699409, AKOS016003144, AN-5160, QC-9870, RP22352, VZ28908, KS-00000Q68, AC-25858, AK101406, AS-19129, DA-17016, AB0031592, AJ-109947, TC-148955, TX-017793, FT-0665309, X4730, 637C423, J-523052, C8H8N4, ACN-028610, C3387, EC 611-382-9,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.075g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.18g/mol
Monoisotopic Mass	160.075g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number