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81892-66-2 | N,N-BIS(2-HYDROXYPROPYL)-2-(2-NITROIMIDAZOL-1-YL)ACETAMIDE
CAS No: 81892-66-2 Catalog No: AG004ZXY MDL No:
Product Description
Catalog Number:
AG004ZXY
Chemical Name:
N,N-BIS(2-HYDROXYPROPYL)-2-(2-NITROIMIDAZOL-1-YL)ACETAMIDE
CAS Number:
81892-66-2
Molecular Formula:
C11H18N4O5
Molecular Weight:
286.2844
IUPAC Name:
N,N-bis(2-hydroxypropyl)-2-(2-nitroimidazol-1-yl)acetamide
InChI:
InChI=1S/C11H18N4O5/c1-8(16)5-14(6-9(2)17)10(18)7-13-4-3-12-11(13)15(19)20/h3-4,8-9,16-17H,5-7H2,1-2H3
InChI Key:
JKQPSNAIPWLHSV-UHFFFAOYSA-N
SMILES:
CC(CN(C(=O)Cn1ccnc1[N+](=O)[O-])CC(O)C)O
NSC Number:
330181
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.288g/mol
Monoisotopic Mass:
286.128g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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