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101858-16-6 | Hydrazinecarboxamide, N-[3-(diethylamino)propyl]-2-[(5-nitro-2-furanyl)methylene]-
CAS No: 101858-16-6 Catalog No: AG0005R1 MDL No:
Product Description
Catalog Number:
AG0005R1
Chemical Name:
Hydrazinecarboxamide, N-[3-(diethylamino)propyl]-2-[(5-nitro-2-furanyl)methylene]-
CAS Number:
101858-16-6
Molecular Formula:
C13H21N5O4
Molecular Weight:
311.3369
IUPAC Name:
1-[3-(diethylamino)propyl]-3-[(5-nitrofuran-2-yl)methylideneamino]urea
InChI:
InChI=1S/C13H21N5O4/c1-3-17(4-2)9-5-8-14-13(19)16-15-10-11-6-7-12(22-11)18(20)21/h6-7,10H,3-5,8-9H2,1-2H3,(H2,14,16,19)
InChI Key:
PCJJYLQECJTKOW-UHFFFAOYSA-N
SMILES:
CCN(CCCNC(=O)NN=Cc1ccc(o1)[N+](=O)[O-])CC
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.159g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.342g/mol
Monoisotopic Mass:
311.159g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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