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1246034-49-0 | 3-Pyridinemethanamine, 5-bromo-N-(2-methoxyethyl)-
CAS No: 1246034-49-0 Catalog No: AG000MGL MDL No:
Product Description
Catalog Number:
AG000MGL
Chemical Name:
3-Pyridinemethanamine, 5-bromo-N-(2-methoxyethyl)-
CAS Number:
1246034-49-0
Molecular Formula:
C9H13BrN2O
Molecular Weight:
245.1163
IUPAC Name:
N-[(5-bromopyridin-3-yl)methyl]-2-methoxyethanamine
InChI:
InChI=1S/C9H13BrN2O/c1-13-3-2-11-5-8-4-9(10)7-12-6-8/h4,6-7,11H,2-3,5H2,1H3
InChI Key:
FQABEWNVZMCLPI-UHFFFAOYSA-N
SMILES:
COCCNCc1cncc(c1)Br
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.12g/mol
Monoisotopic Mass:
244.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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