AG00EFEZ

57004-60-1 | N-(3-METHOXY-PHENYL)-GUANIDINE

AG00EFEZ

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CAS Number	57004-60-1
Catalog Number	AG00EFEZ(AGN-PC-0OCHGV)
Chemical Name	N-(3-METHOXY-PHENYL)-GUANIDINE
IUPAC Name	2-(3-methoxyphenyl)guanidine
InChI	InChI=1S/C8H11N3O/c1-12-7-4-2-3-6(5-7)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
InChI Key	GHJPWSGXHWIAEQ-UHFFFAOYSA-N
MDL Number	MFCD04973396
Molecular Formula	C8H11N3O
Molecular Weight	165.1924
SMILES	NC(NC1=CC=CC(OC)=C1)=N
Synonyms	1-(3-methoxyphenyl)guanidine, 57004-60-1, N-(3-Methoxy-phenyl)-guanidine, N-(3-methoxyphenyl)guanidine, CHEMBL43459, 1-[3-Methoxyphenyl]guanidine, MLS000731350, SMR000309625, 2-(3-methoxyphenyl)guanidine, PubChem22163, 3-methoxylphenylguanidine, SCHEMBL1185724, BDBM96691, CTK5A6141, DTXSID10426939, cid_16194082, GHJPWSGXHWIAEQ-UHFFFAOYSA-N, amino(3-methoxyphenyl)carboxamidine, KS-00000K5J, 8358AB, ANW-44332, KM0059, MFCD04973396, STK207102, ZINC15961194, AKOS001837610, MCULE-9853033607, AJ-39112, AK-68712, DS-17066, SC-50909, 2-(3-methoxyphenyl)guanidine;hydrochloride, AB0071141, ST2414991, TC-133077, 4CH-013058, AM20040737, FT-0690656, ST45181648, A831277, F2158-0386, C8H11N3O, CID7018035,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.196g/mol
Monoisotopic Mass	165.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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