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6044-66-2 | 3,7-Dioctyl-10-(phenylmethyl)-10H-phenothiazine
CAS No: 6044-66-2 Catalog No: AG00EV6O MDL No:
Product Description
Catalog Number:
AG00EV6O
Chemical Name:
3,7-Dioctyl-10-(phenylmethyl)-10H-phenothiazine
CAS Number:
6044-66-2
IUPAC Name:
10-benzyl-3,7-dioctylphenothiazine
InChI:
InChI=1S/C35H47NS/c1-3-5-7-9-11-14-18-29-22-24-32-34(26-29)37-35-27-30(19-15-12-10-8-6-4-2)23-25-33(35)36(32)28-31-20-16-13-17-21-31/h13,16-17,20-27H,3-12,14-15,18-19,28H2,1-2H3
InChI Key:
BIJMTMUECQSXDH-UHFFFAOYSA-N
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.343g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
513.828g/mol
Monoisotopic Mass:
513.343g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.3
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