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88004-51-7 | Benzenamine, N,N-dimethyl(3-methylbutyl)-
CAS No: 88004-51-7 Catalog No: AG004H0T MDL No:
Product Description
Catalog Number:
AG004H0T
Chemical Name:
Benzenamine, N,N-dimethyl(3-methylbutyl)-
CAS Number:
88004-51-7
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
IUPAC Name:
N,N-dimethyl-2-(3-methylbutyl)aniline
InChI:
InChI=1S/C13H21N/c1-11(2)9-10-12-7-5-6-8-13(12)14(3)4/h5-8,11H,9-10H2,1-4H3
InChI Key:
JGPFOFMKAGCLGH-UHFFFAOYSA-N
SMILES:
CC(CCc1ccccc1N(C)C)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.318g/mol
Monoisotopic Mass:
191.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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