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307002-10-4 | MORPHOLINIUM, 4-[3-(2,6-DIMETHYL-4-THIOXO-1(4H)-PYRIDINYL)PROPYL]-4-METHYL-, CHLORIDE (1:1)
CAS No: 307002-10-4 Catalog No: AG00310R MDL No:
Product Description
Catalog Number:
AG00310R
Chemical Name:
MORPHOLINIUM, 4-[3-(2,6-DIMETHYL-4-THIOXO-1(4H)-PYRIDINYL)PROPYL]-4-METHYL-, CHLORIDE (1:1)
CAS Number:
307002-10-4
Molecular Formula:
C15H25ClN2OS
Molecular Weight:
316.8898
IUPAC Name:
2,6-dimethyl-1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]pyridine-4-thione;chloride
InChI:
InChI=1S/C15H25N2OS.ClH/c1-13-11-15(19)12-14(2)16(13)5-4-6-17(3)7-9-18-10-8-17;/h11-12H,4-10H2,1-3H3;1H/q+1;/p-1
InChI Key:
BMTBMSDWNJLGEU-UHFFFAOYSA-M
SMILES:
S=c1cc(C)n(c(c1)C)CCC[N+]1(C)CCOCC1.[Cl-]
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.888g/mol
Monoisotopic Mass:
316.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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