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53915-72-3 | 2,7-bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazine
CAS No: 53915-72-3 Catalog No: AG00DPIB MDL No:
Product Description
Catalog Number:
AG00DPIB
Chemical Name:
2,7-bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazine
CAS Number:
53915-72-3
IUPAC Name:
2,7-bis(2,4,4-trimethylpentan-2-yl)-10H-phenothiazine
InChI:
InChI=1S/C28H41NS/c1-25(2,3)17-27(7,8)19-12-14-23-22(15-19)29-21-13-11-20(16-24(21)30-23)28(9,10)18-26(4,5)6/h11-16,29H,17-18H2,1-10H3
InChI Key:
ZXHLKLXHFDXLCW-UHFFFAOYSA-N
EC Number:
258-861-5
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.296g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.703g/mol
Monoisotopic Mass:
423.296g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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