AG00DBGF

500-92-5 | N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide

AG00DBGF

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CAS Number	500-92-5
Catalog Number	AG00DBGF(AGN-PC-0OB6GI)
Chemical Name	N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide
EC Number	207-915-6
IUPAC Name	(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine
InChI	InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)
InChI Key	SSOLNOMRVKKSON-UHFFFAOYSA-N
MDL Number	MFCD00866201
Molecular Formula	C11H16ClN5
Molecular Weight	253.7312
SMILES	N=C(NC(NC(C)C)=N)NC1=CC=C(Cl)C=C1
UNII	S61K3P7B2V
Synonyms	Bigumal, Chlorguanid, Chloriguane, Chloroguanide, Chloroguanide Hydrochloride, Hydrochloride, Chloroguanide, Hydrochloride, Proguanil, Paludrin, Paludrine, Proguanil, Proguanil Hydrochloride, proguanil, Chloroguanide, Chlorguanide, Chlorguanid, Paludrin, Bigumal, Proguanilum, 500-92-5, Paludrine, Proguanile [DCIT], 1-(p-Chlorophenyl)-5-isopropylbiguanide, Proguanil [INN:BAN], Proguanilum [INN-Latin], N1-p-Chlorophenyl-N5-isopropylbiguanide, 1-Isopropyl-5-(4-chlorophenyl)biguanide, UNII-S61K3P7B2V, C11H16ClN5, CHEBI:8455, EINECS 207-915-6, BRN 2811599, Imidodicarbonimidic diamide, N-(4-chlorophenyl)-N'-(1-methylethyl)-, S61K3P7B2V, BIGUANIDE, 1-(p-CHLOROPHENYL)-5-ISOPROPYL-, N1-(4-Chlorophenyl)-N5-isopropylbiguanide, Chloriguane, Proguanile, N-(4-chlorophenyl)-N'-(propan-2-yl)imidodicarbonimidic diamide, N-(4-Chlorophenyl)-N'-(1-methylethyl)imidodicarbonimidic diamide, N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide, Tirian (hydrochloride), Palusil (hydrochloride), Diguanyl (hydrochloride), Drinupal (hydrochloride), NCGC00016528-01, CAS-637-32-1, Paludrine (hydrochloride), M-4888 (hydrochloride), proguani, SN-12837 (hydrochloride), Proguanil (INN), NSC12977, RP-3359, Spectrum_001588, SpecPlus_000667, AC1O1QGA, Prestwick0_000999, Prestwick1_000999, Prestwick2_000999, Prestwick3_000999, Spectrum2_001135, Spectrum3_001659, Spectrum4_000622, Spectrum5_001384, CHEMBL1377, SCHEMBL45726, BSPBio_001097, BSPBio_003417, KBioGR_001204, KBioSS_002068, 4-12-00-01198 (Beilstein Handbook Reference), BIDD:GT0576, DivK1c_006763, SPBio_001029, SPBio_002988, BPBio1_001207, DTXSID3022794, SCHEMBL16894670, SCHEMBL17300525, KBio1_001707, KBio2_002068, KBio2_004636, KBio2_007204, KBio3_002637, SSOLNOMRVKKSON-UHFFFAOYSA-N, HY-B0806, (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine, BDBM50227829, MFCD00866201, AKOS032455844, AN-6870, API0003939, CS-6234, N'-4-chlorophenyl-n5-isopropylbiguanide, NCGC00016528-02, NCGC00016528-03, CS-12345, LS-43869, SC-54115, SBI-0052839.P002, AB00053776, V0783, C07631, D08428, AB00053776_05, BRD-K28183345-003-05-6, BRD-K28183345-003-07-2, 1-(4-Chlorophenyl)-3-(N-isopropylcarbamimidoyl)guanidine, (1E)-1-[amino-(4-chloroanilino)methylene]-2-isopropyl-guanidine, Malarone, (hydrochloride), Mixture Name, Proguanil HCl, Chloroguanide HCl, Paludrine (TN), Proguanil hydrochloride, Malarone (Salt/Mix), Chloroguanide hydrochloride, Hydrochloride, Proguanil, D0P8RS, Hydrochloride, Chloroguanide, C11-H16-Cl-N5, CID6178111, N- -N'- -IMIDODICARBONIMIDICDIAMIDE, D002727, N-(4-CHLOROPHENYL)-N-(ISOPROPYL)-IMIDODICARBONIMIDICDIAMIDE,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	253.109g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	253.734g/mol
Monoisotopic Mass	253.109g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	88.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
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Certificate of Analysis

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