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1017177-06-8 | 7-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 1017177-06-8 Catalog No: AG00VSC2 MDL No:MFCD09886722
Product Description
Catalog Number:
AG00VSC2
Chemical Name:
7-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1017177-06-8
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD09886722
IUPAC Name:
7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C12H17N/c1-9(2)11-4-3-10-5-6-13-8-12(10)7-11/h3-4,7,9,13H,5-6,8H2,1-2H3
InChI Key:
ATSWFNCSCWWCIQ-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)CNCC2)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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