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16955-87-6 | 6-tert-butylisoquinoline
CAS No: 16955-87-6 Catalog No: AG01A3OK MDL No:MFCD15526629
Product Description
Catalog Number:
AG01A3OK
Chemical Name:
6-tert-butylisoquinoline
CAS Number:
16955-87-6
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
MDL Number:
MFCD15526629
IUPAC Name:
6-tert-butylisoquinoline
InChI:
InChI=1S/C13H15N/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12/h4-9H,1-3H3
InChI Key:
RQYSCFCTWZGMRU-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:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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