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10120-31-7 | 10H-Phenothiazin-3-ol, 10-[3-(methylamino)propyl]-
CAS No: 10120-31-7 Catalog No: AG0003YN MDL No:
Product Description
Catalog Number:
AG0003YN
Chemical Name:
10H-Phenothiazin-3-ol, 10-[3-(methylamino)propyl]-
CAS Number:
10120-31-7
Molecular Formula:
C16H18N2OS
Molecular Weight:
286.3919
IUPAC Name:
10-[3-(methylamino)propyl]phenothiazin-3-ol
InChI:
InChI=1S/C16H18N2OS/c1-17-9-4-10-18-13-5-2-3-6-15(13)20-16-11-12(19)7-8-14(16)18/h2-3,5-8,11,17,19H,4,9-10H2,1H3
InChI Key:
KPNZJQVYAKBDDT-UHFFFAOYSA-N
SMILES:
CNCCCN1c2ccccc2Sc2c1ccc(c2)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.393g/mol
Monoisotopic Mass:
286.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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