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821776-55-0 | Benzenamine, 3-methyl-4-nitro-N,N-dipropyl-
CAS No: 821776-55-0 Catalog No: AG0051BL MDL No:
Product Description
Catalog Number:
AG0051BL
Chemical Name:
Benzenamine, 3-methyl-4-nitro-N,N-dipropyl-
CAS Number:
821776-55-0
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
IUPAC Name:
3-methyl-4-nitro-N,N-dipropylaniline
InChI:
InChI=1S/C13H20N2O2/c1-4-8-14(9-5-2)12-6-7-13(15(16)17)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3
InChI Key:
KQUPPWDMEUESIQ-UHFFFAOYSA-N
SMILES:
CCCN(c1ccc(c(c1)C)[N+](=O)[O-])CCC
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.315g/mol
Monoisotopic Mass:
236.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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