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102790-94-3 | 10H-Phenothiazine,10-[3-(1-aziridinyl)propyl]-
CAS No: 102790-94-3 Catalog No: AG007J6F MDL No:
Product Description
Catalog Number:
AG007J6F
Chemical Name:
10H-Phenothiazine,10-[3-(1-aziridinyl)propyl]-
CAS Number:
102790-94-3
Molecular Formula:
C17H18N2S
Molecular Weight:
282.4032
IUPAC Name:
10-[3-(aziridin-1-yl)propyl]phenothiazine
InChI:
InChI=1S/C17H18N2S/c1-3-8-16-14(6-1)19(11-5-10-18-12-13-18)15-7-2-4-9-17(15)20-16/h1-4,6-9H,5,10-13H2
InChI Key:
ULEZUBVRGCSDDS-UHFFFAOYSA-N
SMILES:
C(CN1c2ccccc2Sc2c1cccc2)CN1CC1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.405g/mol
Monoisotopic Mass:
282.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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