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198409-28-8 | 5-(propan-2-yloxy)-1,2,3,4-tetrahydroisoquinoline
CAS No: 198409-28-8 Catalog No: AG01BZKZ MDL No:MFCD30488513
Product Description
Catalog Number:
AG01BZKZ
Chemical Name:
5-(propan-2-yloxy)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
198409-28-8
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD30488513
IUPAC Name:
5-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C12H17NO/c1-9(2)14-12-5-3-4-10-8-13-7-6-11(10)12/h3-5,9,13H,6-8H2,1-2H3
InChI Key:
NELHWAOPKWGWBF-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc2c1CCNC2)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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