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178758-80-0 | 1-Pentanone, 5-amino-1-(3-pyridinyl)-, hydrochloride (1:2)
CAS No: 178758-80-0 Catalog No: AG0026A4 MDL No:
Product Description
Catalog Number:
AG0026A4
Chemical Name:
1-Pentanone, 5-amino-1-(3-pyridinyl)-, hydrochloride (1:2)
CAS Number:
178758-80-0
Molecular Formula:
C10H16Cl2N2O
Molecular Weight:
251.1528
IUPAC Name:
5-amino-1-pyridin-3-ylpentan-1-one;dihydrochloride
InChI:
InChI=1S/C10H14N2O.2ClH/c11-6-2-1-5-10(13)9-4-3-7-12-8-9;;/h3-4,7-8H,1-2,5-6,11H2;2*1H
InChI Key:
NFLPKFRYMIEKOM-UHFFFAOYSA-N
SMILES:
NCCCCC(=O)c1cccnc1.Cl.Cl
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.151g/mol
Monoisotopic Mass:
250.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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