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89218-54-2 | 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-dimethylaminoacetate hydrochloride
CAS No: 89218-54-2 Catalog No: AG0044YS MDL No:
Product Description
Catalog Number:
AG0044YS
Chemical Name:
2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-dimethylaminoacetate hydrochloride
CAS Number:
89218-54-2
Molecular Formula:
C10H17ClN4O4
Molecular Weight:
292.7194
IUPAC Name:
2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-(dimethylamino)acetate;hydrochloride
InChI:
InChI=1S/C10H16N4O4.ClH/c1-8-11-6-9(14(16)17)13(8)4-5-18-10(15)7-12(2)3;/h6H,4-5,7H2,1-3H3;1H
InChI Key:
GOEWBVPKOVFYAK-UHFFFAOYSA-N
SMILES:
CN(CC(=O)OCCn1c(C)ncc1[N+](=O)[O-])C.Cl
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.72g/mol
Monoisotopic Mass:
292.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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