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1152879-11-2 | 3-Pyridinemethanamine, 5-bromo-N-propyl-
CAS No: 1152879-11-2 Catalog No: AG000GK6 MDL No:
Product Description
Catalog Number:
AG000GK6
Chemical Name:
3-Pyridinemethanamine, 5-bromo-N-propyl-
CAS Number:
1152879-11-2
Molecular Formula:
C9H13BrN2
Molecular Weight:
229.1169
IUPAC Name:
N-[(5-bromopyridin-3-yl)methyl]propan-1-amine
InChI:
InChI=1S/C9H13BrN2/c1-2-3-11-5-8-4-9(10)7-12-6-8/h4,6-7,11H,2-3,5H2,1H3
InChI Key:
RNRIZUBXHVDDFC-UHFFFAOYSA-N
SMILES:
CCCNCc1cncc(c1)Br
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.121g/mol
Monoisotopic Mass:
228.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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