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90679-73-5 | Isoquinoline, 1,2,3,4-tetrahydro-3-(1-methylethyl)- (9CI)
CAS No: 90679-73-5 Catalog No: AG00H0OH MDL No:
Product Description
Catalog Number:
AG00H0OH
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-3-(1-methylethyl)- (9CI)
CAS Number:
90679-73-5
IUPAC Name:
3-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C12H17N/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h3-6,9,12-13H,7-8H2,1-2H3
InChI Key:
ANNVARGEHOMQSP-UHFFFAOYSA-N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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