AG00DFK6

54015-04-2 | N-P-TOLYL-GUANIDINE

AG00DFK6

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CAS Number	54015-04-2
Catalog Number	AG00DFK6(AGN-PC-0OBZPB)
Chemical Name	N-P-TOLYL-GUANIDINE
IUPAC Name	2-(4-methylphenyl)guanidine
InChI	InChI=1S/C8H11N3/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
InChI Key	PKQYVFHRKFDVCH-UHFFFAOYSA-N
MDL Number	MFCD04114637
Molecular Formula	C8H11N3
Molecular Weight	149.1930
SMILES	NC(NC1=CC=C(C)C=C1)=N
Synonyms	1-(p-Tolyl)guanidine, N-p-Tolyl-guanidine, 54015-04-2, N-(4-methylphenyl)guanidine, 1-(4-methylphenyl)guanidine, 2-(4-methylphenyl)guanidine, CHEMBL43415, p-tolyl-guanidine, 1-p-tolylguanidine, AC1L8WQ6, SCHEMBL166139, CTK8B9966, DTXSID70328324, Guanidine, N-(4-methylphenyl)-, ALBB-019786, ZINC6522546, ANW-63768, BDBM50100962, MFCD04114637, AKOS000266461, 1N-amino(immino)methyl-4-methylaniline, MCULE-2191096686, AJ-21454, AS-31076, AB0071628, TC-152513, CS-0061307, FT-0690688, ST24037638, K-9765, guanidine, N-(4-methylphenyl)-, nitrate (1:1), F2158-0393, 1-(p-Tolyl)guanidine hydrochloride, NSC20585, CID409364, ACN-044850, [amino(dimethylamino)methylidene]-dimethylazanium chloride,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.095g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	149.197g/mol
Monoisotopic Mass	149.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64.4A^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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