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100054-14-6 | Benzenamine, N-(1,2-dimethylpropyl)-
CAS No: 100054-14-6 Catalog No: AG0000Q1 MDL No:MFCD11138705
Product Description
Catalog Number:
AG0000Q1
Chemical Name:
Benzenamine, N-(1,2-dimethylpropyl)-
CAS Number:
100054-14-6
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
MDL Number:
MFCD11138705
IUPAC Name:
N-(3-methylbutan-2-yl)aniline
InChI:
InChI=1S/C11H17N/c1-9(2)10(3)12-11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChI Key:
HLYASKUOTVQVGX-UHFFFAOYSA-N
SMILES:
CC(C(C)C)Nc1ccccc1
Properties
Complexity:
114
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:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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