AG00DF6W

51605-33-5 | 5-Chloromethyl-4-methylimidazole hcl

AG00DF6W

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CAS Number	51605-33-5
Catalog Number	AG00DF6W(AGN-PC-0SAVDM)
Chemical Name	5-Chloromethyl-4-methylimidazole hcl
IUPAC Name	4-(chloromethyl)-5-methyl-1H-imidazole;hydrochloride
InChI	InChI=1S/C5H7ClN2.ClH/c1-4-5(2-6)8-3-7-4;/h3H,2H2,1H3,(H,7,8);1H
InChI Key	PDWPOXKSTFGRIT-UHFFFAOYSA-N
MDL Number	MFCD00159660
Molecular Formula	C5H8Cl2N2
Molecular Weight	167.0364
SMILES	CC1=C(CCl)NC=N1.[H]Cl
Synonyms	51605-33-5, 5-(Chloromethyl)-4-methyl-1H-imidazole hydrochloride, 5-Chloromethyl-4-methylimidazole HCl, 5-Chloromethyl-4-methylimidazole hydrochloride, 4-(chloromethyl)-5-methyl-1h-imidazole hydrochloride, MFCD00159660, SCHEMBL5809341, CTK6C4218, DTXSID30499009, PDWPOXKSTFGRIT-UHFFFAOYSA-N, 4730AE, AKOS015845820, MCULE-3368094983, RP08482, WT82127, PS-10671, DB-071383, TC-067991, FT-0694712, 4-Chloromethyl-5-methylimidazole hydrochloride, 4-methyl-5-chloromethylimidazole hydrochloride, 5-Methyl-4-chloromethylimidazole hydrochloride, EN300-67577, 4-chloro-methyl-5-methylimidazole hydrochloride, 4-methyl-5-chloromethyl imidazole hydrochloride, 4-methyl-5-chloromethyl-imidazole hydrochloride, 5-methyl-4-chloromethyl-imidazole hydrochloride, K-9476, J-517399, 4-(chloromethyl)-5-methyl-1H-imidazole, hydrochloride, 4-(chloromethyl)-5-methyl-1H-imidazole;hydrochloride, 4-(chloromethyl)-5-methyl-3H-imidazole hydrochloride, 5-(chloromethyl)-4-methyl-1H-imidazole monohydrochloride, 1H-Imidazole, 5-(chloromethyl)-4-methyl-, hydrochloride (1:1), 4-(Chloromethyl)-5-methyl-1H-imidazole--hydrogen chloride (1/1), C5H8Cl2N2, 6-Amino-2-methylpyridine-3-carbonitrile, N/A, 183428-90-2,

Complexity	76.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.006g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	167.033g/mol
Monoisotopic Mass	166.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H318
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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