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66230-33-9 | 10-[(1,3-dimethyl-3-piperidyl)methyl]phenothiazine
CAS No: 66230-33-9 Catalog No: AG006OP3 MDL No:
Product Description
Catalog Number:
AG006OP3
Chemical Name:
10-[(1,3-dimethyl-3-piperidyl)methyl]phenothiazine
CAS Number:
66230-33-9
Molecular Formula:
C20H24N2S
Molecular Weight:
324.4830
IUPAC Name:
10-[(1,3-dimethylpiperidin-3-yl)methyl]phenothiazine;hydrochloride
InChI:
InChI=1S/C20H24N2S.ClH/c1-20(12-7-13-21(2)14-20)15-22-16-8-3-5-10-18(16)23-19-11-6-4-9-17(19)22;/h3-6,8-11H,7,12-15H2,1-2H3;1H
InChI Key:
MYUWOJBSKBWECL-UHFFFAOYSA-N
SMILES:
CN1CCCC(C1)(C)CN1c2ccccc2Sc2c1cccc2
NSC Number:
141289
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.944g/mol
Monoisotopic Mass:
360.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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