Home Other Building Blocks 2-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethan-1-amine hydrochloride

2-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethan-1-amine hydrochloride

CAS No.:
1909336-98-6
Catalog Number:
AG01C4IB
Molecular Formula:
C10H14ClNOS
Molecular Weight:
231.7423
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Product Description
Catalog Number:
AG01C4IB
Chemical Name:
2-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethan-1-amine hydrochloride
CAS Number:
1909336-98-6
Molecular Formula:
C10H14ClNOS
Molecular Weight:
231.7423
MDL Number:
MFCD29906898
IUPAC Name:
2-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C10H13NOS.ClH/c11-6-5-8-7-13-10-4-2-1-3-9(10)12-8;/h1-4,8H,5-7,11H2;1H
InChI Key:
ITQBLPHANNESNC-UHFFFAOYSA-N
SMILES:
NCCC1CSc2c(O1)cccc2.Cl
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.738g/mol
Monoisotopic Mass:
231.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties