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102415-99-6 | 10H-Phenothiazin-3-ol, 10-[3-(dimethylamino)-2-methylpropyl]-
CAS No: 102415-99-6 Catalog No: AG0007EO MDL No:
Product Description
Catalog Number:
AG0007EO
Chemical Name:
10H-Phenothiazin-3-ol, 10-[3-(dimethylamino)-2-methylpropyl]-
CAS Number:
102415-99-6
Molecular Formula:
C18H22N2OS
Molecular Weight:
314.4451
IUPAC Name:
10-[3-(dimethylamino)-2-methylpropyl]phenothiazin-3-ol
InChI:
InChI=1S/C18H22N2OS/c1-13(11-19(2)3)12-20-15-6-4-5-7-17(15)22-18-10-14(21)8-9-16(18)20/h4-10,13,21H,11-12H2,1-3H3
InChI Key:
SWKMYBQQYSXWHF-UHFFFAOYSA-N
SMILES:
CN(CC(CN1c2ccccc2Sc2c1ccc(c2)O)C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.145g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.447g/mol
Monoisotopic Mass:
314.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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