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1353976-02-9 | N*1*-Ethyl-N*1*-(3-nitro-benzyl)-ethane-1,2-diamine
CAS No: 1353976-02-9 Catalog No: AG01F8RV MDL No:
Product Description
Catalog Number:
AG01F8RV
Chemical Name:
N*1*-Ethyl-N*1*-(3-nitro-benzyl)-ethane-1,2-diamine
CAS Number:
1353976-02-9
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
IUPAC Name:
N'-ethyl-N'-[(3-nitrophenyl)methyl]ethane-1,2-diamine
InChI:
InChI=1S/C11H17N3O2/c1-2-13(7-6-12)9-10-4-3-5-11(8-10)14(15)16/h3-5,8H,2,6-7,9,12H2,1H3
InChI Key:
UTKPPZARSATDLH-UHFFFAOYSA-N
SMILES:
NCCN(Cc1cccc(c1)[N+](=O)[O-])CC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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