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39744-92-8 | 5-benzyl-6,7,8,9-tetrahydro-5h-pyrido[4,3-b]indole hydrochloride(1:1)
CAS No: 39744-92-8 Catalog No: AG0077FX MDL No:
Product Description
Catalog Number:
AG0077FX
Chemical Name:
5-benzyl-6,7,8,9-tetrahydro-5h-pyrido[4,3-b]indole hydrochloride(1:1)
CAS Number:
39744-92-8
Molecular Formula:
C18H19ClN2
Molecular Weight:
298.8099
IUPAC Name:
5-benzyl-6,7,8,9-tetrahydropyrido[4,3-b]indole;hydrochloride
InChI:
InChI=1S/C18H18N2.ClH/c1-2-6-14(7-3-1)13-20-17-9-5-4-8-15(17)16-12-19-11-10-18(16)20;/h1-3,6-7,10-12H,4-5,8-9,13H2;1H
InChI Key:
PJTGEWRUOVMBIR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1c2ccncc2c2c1CCCC2.Cl
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.814g/mol
Monoisotopic Mass:
298.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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