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Home > Indoles and Oxindole > 78131-69-8
78131-69-8 | 2-(4-Methyl-1-piperazinyl)benz(cd)indole hydrochloride hydrate (2:4:1)
CAS No: 78131-69-8 Catalog No: AG005OJT MDL No:
Product Description
Catalog Number:
AG005OJT
Chemical Name:
2-(4-Methyl-1-piperazinyl)benz(cd)indole hydrochloride hydrate (2:4:1)
CAS Number:
78131-69-8
Molecular Formula:
C32H40Cl4N6O
Molecular Weight:
666.5116
IUPAC Name:
2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride
InChI:
InChI=1S/C16H17N3.2ClH/c1-18-8-10-19(11-9-18)16-13-6-2-4-12-5-3-7-14(17-16)15(12)13;;/h2-7H,8-11H2,1H3;2*1H
InChI Key:
CLVOQQPNPPRXMP-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C1=Nc2c3c1cccc3ccc2.CN1CCN(CC1)C1=Nc2c3c1cccc3ccc2.O.Cl.Cl.Cl.Cl
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.249g/mol
Monoisotopic Mass:
323.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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