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1333319-64-4 | 3-Pyridinemethanamine, 5-bromo-N-(2,2-dimethylpropyl)-
CAS No: 1333319-64-4 Catalog No: AG0014OA MDL No:
Product Description
Catalog Number:
AG0014OA
Chemical Name:
3-Pyridinemethanamine, 5-bromo-N-(2,2-dimethylpropyl)-
CAS Number:
1333319-64-4
Molecular Formula:
C11H17BrN2
Molecular Weight:
257.1701
IUPAC Name:
N-[(5-bromopyridin-3-yl)methyl]-2,2-dimethylpropan-1-amine
InChI:
InChI=1S/C11H17BrN2/c1-11(2,3)8-14-6-9-4-10(12)7-13-5-9/h4-5,7,14H,6,8H2,1-3H3
InChI Key:
QKBNANJCUKYMLN-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)CNCC(C)(C)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.175g/mol
Monoisotopic Mass:
256.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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