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199522-78-6 | 1,4-Butanediamine, N1-(5-bromo-2-pyridinyl)-
CAS No: 199522-78-6 Catalog No: AG002C5F MDL No:
Product Description
Catalog Number:
AG002C5F
Chemical Name:
1,4-Butanediamine, N1-(5-bromo-2-pyridinyl)-
CAS Number:
199522-78-6
Molecular Formula:
C9H14BrN3
Molecular Weight:
244.1316
IUPAC Name:
N'-(5-bromopyridin-2-yl)butane-1,4-diamine
InChI:
InChI=1S/C9H14BrN3/c10-8-3-4-9(13-7-8)12-6-2-1-5-11/h3-4,7H,1-2,5-6,11H2,(H,12,13)
InChI Key:
VKFSFYVDNIXBMQ-UHFFFAOYSA-N
SMILES:
NCCCCNc1ccc(cn1)Br
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.136g/mol
Monoisotopic Mass:
243.037g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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