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19839-61-3 | 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro-2,3-dimethyl-6-(4-methyl-1-piperazinyl)-
CAS No: 19839-61-3 Catalog No: AG002BGV MDL No:
Product Description
Catalog Number:
AG002BGV
Chemical Name:
5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro-2,3-dimethyl-6-(4-methyl-1-piperazinyl)-
CAS Number:
19839-61-3
Molecular Formula:
C18H28N2O
Molecular Weight:
288.4277
IUPAC Name:
2,3-dimethyl-6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
InChI:
InChI=1S/C18H28N2O/c1-13-11-15-5-4-6-17(18(21)16(15)12-14(13)2)20-9-7-19(3)8-10-20/h11-12,17-18,21H,4-10H2,1-3H3
InChI Key:
NIQFZAQHEKWLSO-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C1CCCc2c(C1O)cc(C)c(c2)C
NSC Number:
147889
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.22g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.435g/mol
Monoisotopic Mass:
288.22g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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