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115689-19-5 | Thiazolo[4,5-f]quinolin-2-amine, 4,5,5a,6,7,8-hexahydro-6-propyl-, dihydrochloride, (S)- (9CI)
CAS No: 115689-19-5 Catalog No: AG000GR6 MDL No:
Product Description
Catalog Number:
AG000GR6
Chemical Name:
Thiazolo[4,5-f]quinolin-2-amine, 4,5,5a,6,7,8-hexahydro-6-propyl-, dihydrochloride, (S)- (9CI)
CAS Number:
115689-19-5
Molecular Formula:
C13H21Cl2N3S
Molecular Weight:
322.2969
IUPAC Name:
(5aS)-6-propyl-5,5a,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;dihydrochloride
InChI:
InChI=1S/C13H19N3S.2ClH/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11;;/h4,10H,2-3,5-8H2,1H3,(H2,14,15);2*1H/t10-;;/m0../s1
InChI Key:
BGFOAQLXHIRNQH-XRIOVQLTSA-N
SMILES:
CCCN1CCC=C2[C@@H]1CCc1c2nc(s1)N.Cl.Cl
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
321.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.292g/mol
Monoisotopic Mass:
321.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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