AG002LA3

2113-05-5 | Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, hydrochloride (1:1)

AG002LA3

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CAS Number	2113-05-5
Catalog Number	AG002LA3(AGN-PC-0QXP0R)
Chemical Name	Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, hydrochloride (1:1)
IUPAC Name	2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride
InChI	InChI=1S/C8H10ClN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChI Key	FOWAIJYHRWFTHR-UHFFFAOYSA-N
MDL Number	MFCD00053019
Molecular Formula	C8H11Cl2N5
Molecular Weight	248.1124
NSC Number	210906
SMILES	N=C(NC1=CC=CC(Cl)=C1)NC(N)=N.[H]Cl
Synonyms	1-(3-chlorophenyl)biguanide, 1-(3-chlorophenyl)biguanide hydrochloride, 1-(m-chlorophenyl)biguanide, m-chlorophenylbiguanide, mCPBG, 2113-05-5, 1-(3-Chlorophenyl)biguanide hydrochloride, m-chlorophenylbiguanide hydrochloride, 1-(m-Chlorophenyl)-biguanide hydrochloride, m-Chlorophenylbiguanide HCl, m-CPBG hydrochloride, MFCD00053019, 1-(3-CHLOROPHENYL)BIGUANIDE HCL, 1-(m-Chlorophenyl)biguanide hydrochloride, 1-carbamimidamido-N-(3-chlorophenyl)methanimidamide hydrochloride, Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, monohydrochloride, SR-01000075547, N-(3-Chlorophenyl)imidodicarbonimidic diamide hydrochloride, ACMC-20apbq, AC1MBRPQ, EU-0100343, MLS001056739, SCHEMBL1320574, CHEMBL1256027, CTK1A2803, KS-00000LTE, DTXSID80175361, ZX-AT005881, Tox21_500343, BN0321, NSC210906, OR0928, SBB100366, AKOS023093273, CCG-221647, LP00343, MCULE-2237141498, NSC-210906, PS-7507, VZ20899, KS-00003R36, NCGC00093781-01, NCGC00261028-01, AK400160, SMR000326726, TC-172493, B6306, C-144, FT-0634040, ST50825927, K-0005, 1-(3-Chlorophenyl)biguanide hydrochloride, solid, C-15185, J-013867, SR-01000075547-1, SR-01000075547-3, {[(3-Chloroanilino)(imino)methyl]amino}methanimidamide hydrochloride, 2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine hydrochloride, amino{[(3-chlorophenyl)amino]iminomethyl}carboxamidine, chloride, Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, hydrochloride (1:1), Imidodicarbonimidicdiamide, N-(3-chlorophenyl)-, hydrochloride (1:1), 1-(3-Chlorophenyl)biguanide, BIGUANIDE, MONOHYDROCHLORIDE, N-m-Chlorophenylbiguanide hydrochloride, CID2730228, Imidodicarbonimidic diamide, monohydrochloride, BIGUANIDE, 1-(m-CHLOROPHENYL)-, MONOHYDROCHLORIDE, N-(3-Chlorophenyl)-imidodicarbonimidic diamide monohydrochloride,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.039g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	248.111g/mol
Monoisotopic Mass	247.039g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number