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404576-42-7 | 6-(tert-butyl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 404576-42-7 Catalog No: AG01A76E MDL No:MFCD20317448
Product Description
Catalog Number:
AG01A76E
Chemical Name:
6-(tert-butyl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
404576-42-7
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
MDL Number:
MFCD20317448
IUPAC Name:
6-tert-butyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C13H19N/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12/h4-5,8,14H,6-7,9H2,1-3H3
InChI Key:
VORVPPDFYWENEL-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)CCNC2)(C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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