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935655-08-6 | 6-isopropyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 935655-08-6 Catalog No: AG00H5JK MDL No:MFCD20318956
Product Description
Catalog Number:
AG00H5JK
Chemical Name:
6-isopropyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
935655-08-6
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD20318956
IUPAC Name:
6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C12H17N/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3
InChI Key:
SSWUUFFQRQRUNJ-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)CCNC2)C
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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