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Home > Nitro Compounds > 1153484-33-3
1153484-33-3 | 1-[2-(4-nitrophenyl)ethyl]-1,4-diazepane
CAS No: 1153484-33-3 Catalog No: AG00JVD5 MDL No:
Product Description
Catalog Number:
AG00JVD5
Chemical Name:
1-[2-(4-nitrophenyl)ethyl]-1,4-diazepane
CAS Number:
1153484-33-3
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
IUPAC Name:
1-[2-(4-nitrophenyl)ethyl]-1,4-diazepane
InChI:
InChI=1S/C13H19N3O2/c17-16(18)13-4-2-12(3-5-13)6-10-15-9-1-7-14-8-11-15/h2-5,14H,1,6-11H2
InChI Key:
QVWRTKSALBQMRO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CCN1CCNCCC1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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