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2138198-80-6 | 1H,2H,3H,4H,5H-pyrido[3,4-b]azepine dihydrochloride
CAS No: 2138198-80-6 Catalog No: AG01EJ2V MDL No:MFCD31434731
Product Description
Catalog Number:
AG01EJ2V
Chemical Name:
1H,2H,3H,4H,5H-pyrido[3,4-b]azepine dihydrochloride
CAS Number:
2138198-80-6
Molecular Formula:
C9H14Cl2N2
Molecular Weight:
221.1269
MDL Number:
MFCD31434731
IUPAC Name:
2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;dihydrochloride
InChI:
InChI=1S/C9H12N2.2ClH/c1-2-5-11-9-7-10-6-4-8(9)3-1;;/h4,6-7,11H,1-3,5H2;2*1H
InChI Key:
FLFBMWPMLUZYNY-UHFFFAOYSA-N
SMILES:
C1CCc2c(NC1)cncc2.Cl.Cl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.125g/mol
Monoisotopic Mass:
220.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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