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Home > Pyridines > 864754-31-4
864754-31-4 | 1-PYRIDIN-2-YL-[1,4]DIAZEPANE DIHYDROCHLORIDE
CAS No: 864754-31-4 Catalog No: AG00GUVO MDL No:MFCD08706077
Product Description
Catalog Number:
AG00GUVO
Chemical Name:
1-PYRIDIN-2-YL-[1,4]DIAZEPANE DIHYDROCHLORIDE
CAS Number:
864754-31-4
Molecular Formula:
C10H17Cl2N3
Molecular Weight:
250.1681
MDL Number:
MFCD08706077
IUPAC Name:
1-pyridin-2-yl-1,4-diazepane;dihydrochloride
InChI:
InChI=1S/C10H15N3.2ClH/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13;;/h1-2,4,6,11H,3,5,7-9H2;2*1H
InChI Key:
KBCBUUCDZBKYQN-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)c1ccccn1.Cl.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.167g/mol
Monoisotopic Mass:
249.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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