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1267182-27-3 | Isoquinoline, 7-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-4,4-dimethyl-
CAS No: 1267182-27-3 Catalog No: AG000T4S MDL No:
Product Description
Catalog Number:
AG000T4S
Chemical Name:
Isoquinoline, 7-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-4,4-dimethyl-
CAS Number:
1267182-27-3
Molecular Formula:
C15H23N
Molecular Weight:
217.3498
IUPAC Name:
7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C15H23N/c1-14(2,3)12-6-7-13-11(8-12)9-16-10-15(13,4)5/h6-8,16H,9-10H2,1-5H3
InChI Key:
UZAVAPKOMYGPIF-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)CNCC2(C)C)(C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.356g/mol
Monoisotopic Mass:
217.183g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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