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88954-46-5 | 1,1-Ethenediamine, N-cyclopentyl-2-nitro-
CAS No: 88954-46-5 Catalog No: AG0046SZ MDL No:
Product Description
Catalog Number:
AG0046SZ
Chemical Name:
1,1-Ethenediamine, N-cyclopentyl-2-nitro-
CAS Number:
88954-46-5
Molecular Formula:
C7H13N3O2
Molecular Weight:
171.1970
IUPAC Name:
1-N'-cyclopentyl-2-nitroethene-1,1-diamine
InChI:
InChI=1S/C7H13N3O2/c8-7(5-10(11)12)9-6-3-1-2-4-6/h5-6,9H,1-4,8H2
InChI Key:
MSYBMQREJYVMHZ-UHFFFAOYSA-N
SMILES:
NC(=C[N+](=O)[O-])NC1CCCC1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.2g/mol
Monoisotopic Mass:
171.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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