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823216-23-5 | Benzenamine, 4-bromo-3-methyl-N,N-dipentyl-
CAS No: 823216-23-5 Catalog No: AG004YXB MDL No:
Product Description
Catalog Number:
AG004YXB
Chemical Name:
Benzenamine, 4-bromo-3-methyl-N,N-dipentyl-
CAS Number:
823216-23-5
Molecular Formula:
C17H28BrN
Molecular Weight:
326.3149
IUPAC Name:
4-bromo-3-methyl-N,N-dipentylaniline
InChI:
InChI=1S/C17H28BrN/c1-4-6-8-12-19(13-9-7-5-2)16-10-11-17(18)15(3)14-16/h10-11,14H,4-9,12-13H2,1-3H3
InChI Key:
URXOAWDZNWVQLC-UHFFFAOYSA-N
SMILES:
CCCCCN(c1ccc(c(c1)C)Br)CCCCC
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.322g/mol
Monoisotopic Mass:
325.141g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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