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821789-51-9 | Benzenamine, 4-bromo-N,N-bis(2-ethylhexyl)-
CAS No: 821789-51-9 Catalog No: AG00575P MDL No:
Product Description
Catalog Number:
AG00575P
Chemical Name:
Benzenamine, 4-bromo-N,N-bis(2-ethylhexyl)-
CAS Number:
821789-51-9
Molecular Formula:
C22H38BrN
Molecular Weight:
396.4478
IUPAC Name:
4-bromo-N,N-bis(2-ethylhexyl)aniline
InChI:
InChI=1S/C22H38BrN/c1-5-9-11-19(7-3)17-24(18-20(8-4)12-10-6-2)22-15-13-21(23)14-16-22/h13-16,19-20H,5-12,17-18H2,1-4H3
InChI Key:
WBKIBHJTNXXLBM-UHFFFAOYSA-N
SMILES:
CCCCC(CN(c1ccc(cc1)Br)CC(CCCC)CC)CC
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.219g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.457g/mol
Monoisotopic Mass:
395.219g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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