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208538-34-5 | Morpholinium, 4-(cyanomethyl)-4-methyl-, sulfate (1:1)
CAS No: 208538-34-5 Catalog No: AG002JQW MDL No:
Product Description
Catalog Number:
AG002JQW
Chemical Name:
Morpholinium, 4-(cyanomethyl)-4-methyl-, sulfate (1:1)
CAS Number:
208538-34-5
Molecular Formula:
C7H14N2O5S
Molecular Weight:
238.2615
IUPAC Name:
hydrogen sulfate;2-(4-methylmorpholin-4-ium-4-yl)acetonitrile
InChI:
InChI=1S/C7H13N2O.H2O4S/c1-9(3-2-8)4-6-10-7-5-9;1-5(2,3)4/h3-7H2,1H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
BUVZVFMSZAEVFZ-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.N#CC[N+]1(C)CCOCC1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.258g/mol
Monoisotopic Mass:
238.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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