Home Aminos 2-(aminomethyl)-2,3-dihydro-1,4lambda6-benzoxathiine-4,4-dione hydrochloride

2-(aminomethyl)-2,3-dihydro-1,4lambda6-benzoxathiine-4,4-dione hydrochloride

CAS No.:
1909336-66-8
Catalog Number:
AG01C4C4
Molecular Formula:
C9H12ClNO3S
Molecular Weight:
249.7145
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Product Description
Catalog Number:
AG01C4C4
Chemical Name:
2-(aminomethyl)-2,3-dihydro-1,4lambda6-benzoxathiine-4,4-dione hydrochloride
CAS Number:
1909336-66-8
Molecular Formula:
C9H12ClNO3S
Molecular Weight:
249.7145
MDL Number:
MFCD29763094
IUPAC Name:
(4,4-dioxo-2,3-dihydro-1,4λ6-benzoxathiin-2-yl)methanamine;hydrochloride
InChI:
InChI=1S/C9H11NO3S.ClH/c10-5-7-6-14(11,12)9-4-2-1-3-8(9)13-7;/h1-4,7H,5-6,10H2;1H
InChI Key:
MDZUYMDCLYKEOZ-UHFFFAOYSA-N
SMILES:
NCC1Oc2ccccc2S(=O)(=O)C1.Cl
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.023g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.709g/mol
Monoisotopic Mass:
249.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties