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180045-55-0 | Hydrazinecarboxamide, N-[2-[(2-hydroxyethyl)amino]ethyl]-2-[(4-methoxyphenyl)methylene]-, ethanedioate (1:1)
CAS No: 180045-55-0 Catalog No: AG0021N4 MDL No:
Product Description
Catalog Number:
AG0021N4
Chemical Name:
Hydrazinecarboxamide, N-[2-[(2-hydroxyethyl)amino]ethyl]-2-[(4-methoxyphenyl)methylene]-, ethanedioate (1:1)
CAS Number:
180045-55-0
Molecular Formula:
C15H22N4O7
Molecular Weight:
370.3578
IUPAC Name:
1-[2-(2-hydroxyethylamino)ethyl]-3-[(E)-(4-methoxyphenyl)methylideneamino]urea;oxalic acid
InChI:
InChI=1S/C13H20N4O3.C2H2O4/c1-20-12-4-2-11(3-5-12)10-16-17-13(19)15-7-6-14-8-9-18;3-1(4)2(5)6/h2-5,10,14,18H,6-9H2,1H3,(H2,15,17,19);(H,3,4)(H,5,6)/b16-10+;
InChI Key:
AONIBFDQDFQUTH-QFHYWFJHSA-N
SMILES:
OC(=O)C(=O)O.OCCNCCNC(=O)NN=Cc1ccc(cc1)OC
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
370.149g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
370.362g/mol
Monoisotopic Mass:
370.149g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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