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3800-98-4 | 10H-Phenothiazine-10-propanamine, N,N,β-trimethyl-2-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 3800-98-4 Catalog No: AG0039H1 MDL No:
Product Description
Catalog Number:
AG0039H1
Chemical Name:
10H-Phenothiazine-10-propanamine, N,N,β-trimethyl-2-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
3800-98-4
Molecular Formula:
C19H22ClF3N2S
Molecular Weight:
402.9046
IUPAC Name:
N,N,2-trimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine;hydrochloride
InChI:
InChI=1S/C19H21F3N2S.ClH/c1-13(11-23(2)3)12-24-15-6-4-5-7-17(15)25-18-9-8-14(10-16(18)24)19(20,21)22;/h4-10,13H,11-12H2,1-3H3;1H
InChI Key:
JISXJZIKROIEPI-UHFFFAOYSA-N
SMILES:
CN(CC(CN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C)C.Cl
NSC Number:
156243
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.114g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.904g/mol
Monoisotopic Mass:
402.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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