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82563-71-1 | 2-(1,3-Dimethyl-butyl)-pyridine
CAS No: 82563-71-1 Catalog No: AG01EXKA MDL No:MFCD06637492
Product Description
Catalog Number:
AG01EXKA
Chemical Name:
2-(1,3-Dimethyl-butyl)-pyridine
CAS Number:
82563-71-1
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
MDL Number:
MFCD06637492
IUPAC Name:
2-(4-methylpentan-2-yl)pyridine
InChI:
InChI=1S/C11H17N/c1-9(2)8-10(3)11-6-4-5-7-12-11/h4-7,9-10H,8H2,1-3H3
InChI Key:
BHUAGBBGQYYKCB-UHFFFAOYSA-N
SMILES:
CC(CC(c1ccccn1)C)C
Properties
Complexity:
120
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:
0
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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