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1159826-25-1 | 1,2-Ethanediamine, N1-(5-bromo-2-pyridinyl)-, hydrochloride (1:2)
CAS No: 1159826-25-1 Catalog No: AG000HCV MDL No:
Product Description
Catalog Number:
AG000HCV
Chemical Name:
1,2-Ethanediamine, N1-(5-bromo-2-pyridinyl)-, hydrochloride (1:2)
CAS Number:
1159826-25-1
Molecular Formula:
C7H12BrCl2N3
Molecular Weight:
289.0003
IUPAC Name:
N'-(5-bromopyridin-2-yl)ethane-1,2-diamine;dihydrochloride
InChI:
InChI=1S/C7H10BrN3.2ClH/c8-6-1-2-7(11-5-6)10-4-3-9;;/h1-2,5H,3-4,9H2,(H,10,11);2*1H
InChI Key:
CSAPKYCELUVQFX-UHFFFAOYSA-N
SMILES:
NCCNc1ccc(cn1)Br.Cl.Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.959g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
288.998g/mol
Monoisotopic Mass:
286.959g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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