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13871-66-4 | 6-tert-butyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
CAS No: 13871-66-4 Catalog No: AG006ZKZ MDL No:
Product Description
Catalog Number:
AG006ZKZ
Chemical Name:
6-tert-butyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
CAS Number:
13871-66-4
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
6-tert-butyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
InChI:
InChI=1S/C14H19NO2.ClH/c1-14(2,3)15-5-4-10-6-12-13(17-9-16-12)7-11(10)8-15;/h6-7H,4-5,8-9H2,1-3H3;1H
InChI Key:
KVPPUCLTPGFMPY-UHFFFAOYSA-N
SMILES:
CC(N1CCc2c(C1)cc1c(c2)OCO1)(C)C
NSC Number:
131717
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.769g/mol
Monoisotopic Mass:
269.118g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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