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209548-10-7 | Benzenamine, 4-(1,1-dimethylethyl)-N-(1-ethylpropyl)-2,6-dinitro-
CAS No: 209548-10-7 Catalog No: AG002KAI MDL No:
Product Description
Catalog Number:
AG002KAI
Chemical Name:
Benzenamine, 4-(1,1-dimethylethyl)-N-(1-ethylpropyl)-2,6-dinitro-
CAS Number:
209548-10-7
Molecular Formula:
C15H23N3O4
Molecular Weight:
309.3608
IUPAC Name:
4-tert-butyl-2,6-dinitro-N-pentan-3-ylaniline
InChI:
InChI=1S/C15H23N3O4/c1-6-11(7-2)16-14-12(17(19)20)8-10(15(3,4)5)9-13(14)18(21)22/h8-9,11,16H,6-7H2,1-5H3
InChI Key:
MFHJZDUGAUIISN-UHFFFAOYSA-N
SMILES:
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])CC
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.366g/mol
Monoisotopic Mass:
309.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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