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13117-94-7 | Benzenamine, 2-(1,1-dimethylethyl)-6-methyl-
CAS No: 13117-94-7 Catalog No: AG000VNQ MDL No:MFCD00025208
Product Description
Catalog Number:
AG000VNQ
Chemical Name:
Benzenamine, 2-(1,1-dimethylethyl)-6-methyl-
CAS Number:
13117-94-7
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
MDL Number:
MFCD00025208
IUPAC Name:
2-tert-butyl-6-methylaniline
InChI:
InChI=1S/C11H17N/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7H,12H2,1-4H3
InChI Key:
GWIUAENVORNODL-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1N)C(C)(C)C
EC Number:
236-044-4
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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