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184776-54-3 | 4-(10H-phenothiazin-10-yl)butan-1-amine
CAS No: 184776-54-3 Catalog No: AG01FCGA MDL No:
Product Description
Catalog Number:
AG01FCGA
Chemical Name:
4-(10H-phenothiazin-10-yl)butan-1-amine
CAS Number:
184776-54-3
Molecular Formula:
C16H18N2S
Molecular Weight:
270.3925
IUPAC Name:
4-phenothiazin-10-ylbutan-1-amine
InChI:
InChI=1S/C16H18N2S/c17-11-5-6-12-18-13-7-1-3-9-15(13)19-16-10-4-2-8-14(16)18/h1-4,7-10H,5-6,11-12,17H2
InChI Key:
GIIRHITWHGRFQI-UHFFFAOYSA-N
SMILES:
NCCCCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.119g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.394g/mol
Monoisotopic Mass:
270.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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