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821776-82-3 | Benzenamine, N-(cyclopropylmethyl)-3-methyl-4-nitro-N-propyl-
CAS No: 821776-82-3 Catalog No: AG0051BG MDL No:
Product Description
Catalog Number:
AG0051BG
Chemical Name:
Benzenamine, N-(cyclopropylmethyl)-3-methyl-4-nitro-N-propyl-
CAS Number:
821776-82-3
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
N-(cyclopropylmethyl)-3-methyl-4-nitro-N-propylaniline
InChI:
InChI=1S/C14H20N2O2/c1-3-8-15(10-12-4-5-12)13-6-7-14(16(17)18)11(2)9-13/h6-7,9,12H,3-5,8,10H2,1-2H3
InChI Key:
CJMIWCMJQGMAPA-UHFFFAOYSA-N
SMILES:
CCCN(c1ccc(c(c1)C)[N+](=O)[O-])CC1CC1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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