AG0032T2

3543-73-5 | 1-Methyl-5-amino-1H-benzimidazole-2-butanoic acid ethyl ester

AG0032T2

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CAS Number	3543-73-5
Catalog Number	AG0032T2(AGN-PC-0RAW5J)
Chemical Name	1-Methyl-5-amino-1H-benzimidazole-2-butanoic acid ethyl ester
IUPAC Name	ethyl 4-(5-amino-1-methylbenzimidazol-2-yl)butanoate
InChI	InChI=1S/C14H19N3O2/c1-3-19-14(18)6-4-5-13-16-11-9-10(15)7-8-12(11)17(13)2/h7-9H,3-6,15H2,1-2H3
InChI Key	JUMGOLYNZBZPKE-UHFFFAOYSA-N
MDL Number	MFCD09840909
Molecular Formula	C14H19N3O2
Molecular Weight	261.3196
SMILES	C(C)OC(CCCC1=NC2=C(N1C)C=CC(=C2)N)=O
Synonyms	3543-73-5, 1-Methyl-5-amino-1H-benzimidazole-2-butanoic acid ethyl ester, ethyl 4-(5-amino-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate, 5-Amino-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester, 5-amino-1-methyl-2-Benzimidazolebutyric acid ethyl ester, ethyl 4-(5-amino-1-methyl-1H-benzimidazol-2-yl)butanoate, AK-40683, ethyl 4-(5-amino-1-methylbenzimidazol-2-yl)butanoate, 4-(5-AMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YL)-BUTYRIC ACID ETHYL ESTER, Ethyl 4-[5-amino-1-methyl-1H-benzimidazol-2-yl)butanoate, JUMGOLYNZBZPKE-UHFFFAOYSA-N, PubChem23571, BENDAMUSTINE INTERMEDIATE, SCHEMBL10021006, CTK8B5052, DTXSID20652641, BCP08817, ANW-47233, BBL031523, MFCD09840909, STL243865, ZINC22062556, AKOS015917947, AC-6922, ACM3543735, AN-1102, LS41059, MCULE-2416938087, QC-1292, SS-3629, AJ-80913, BR-40683, OR310522, SC-47419, AB0031649, AB1008552, AX8163961, DB-030747, TC-135978, 4CH-008958, AM20090668, FT-0671447, ST24030592, X4796, S-5463, 543M735, I14-8811, J-504966, 4-(5-amino-1-methyl-1H-benzoimidazol-2-yl)-butyric, ethyl 4-(5-amino-1-methyl-benzimidazol-2-yl)butanoate, 4-[5-amino-1-methylbenzimidazol-2-yl]butanoic acid ethyl ester, ethyl 4-(5-amino-1-methyl-1H-1,3-benzimidazol-2-yl)butanoate, ethyl 4-(5-amino-1-methyl-1H-1,3-benzodiazol-2-yl)butanoate, 1H-Benzimidazole-2-butanoic acid, 5-amino-1-methyl-, ethyl ester, null, Bendamustine HCL intermediate A, C14H19N3O2, ACN-025711, 4-(5-amino-1-methyl-1H-benzoimidazol-2-yl) -butyric acid ethyl ester, 29601-98-7, 3543-72-4,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.148g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.325g/mol
Monoisotopic Mass	261.148g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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

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