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180045-60-7 | Hydrazinecarboxamide, N-[2-[(2-hydroxyethyl)amino]ethyl]-2-[(3-nitrophenyl)methylene]-
CAS No: 180045-60-7 Catalog No: AG0021N2 MDL No:
Product Description
Catalog Number:
AG0021N2
Chemical Name:
Hydrazinecarboxamide, N-[2-[(2-hydroxyethyl)amino]ethyl]-2-[(3-nitrophenyl)methylene]-
CAS Number:
180045-60-7
Molecular Formula:
C12H17N5O4
Molecular Weight:
295.2945
IUPAC Name:
1-[2-(2-hydroxyethylamino)ethyl]-3-[(3-nitrophenyl)methylideneamino]urea
InChI:
InChI=1S/C12H17N5O4/c18-7-6-13-4-5-14-12(19)16-15-9-10-2-1-3-11(8-10)17(20)21/h1-3,8-9,13,18H,4-7H2,(H2,14,16,19)
InChI Key:
DCWLAUJJEKQIOH-UHFFFAOYSA-N
SMILES:
OCCNCCNC(=O)NN=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
295.299g/mol
Monoisotopic Mass:
295.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.3
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