Home Other Building Blocks 8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride

8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride

CAS No.:
1798017-13-6
Catalog Number:
AG01AFHJ
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
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Product Description
Catalog Number:
AG01AFHJ
Chemical Name:
8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine hydrochloride
CAS Number:
1798017-13-6
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
MDL Number:
MFCD27920204
IUPAC Name:
8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
InChI:
InChI=1S/C12H17NO.ClH/c1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;/h4-6,13H,7-8H2,1-3H3;1H
InChI Key:
SIKAVJFONWNNAQ-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c1OCCN2)(C)C.Cl
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.108g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.732g/mol
Monoisotopic Mass:
227.108g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties