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77796-20-4 | Isoquinoline, 1,2,3,4-tetrahydro-1-(1-methylethyl)- (9CI)
CAS No: 77796-20-4 Catalog No: AG00GFF1 MDL No:MFCD00957561
Product Description
Catalog Number:
AG00GFF1
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1-(1-methylethyl)- (9CI)
CAS Number:
77796-20-4
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD00957561
IUPAC Name:
1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C12H17N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-6,9,12-13H,7-8H2,1-2H3
InChI Key:
ZGSAVXFMPOZYTJ-UHFFFAOYSA-N
SMILES:
CC(C1NCCc2c1cccc2)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological evaluation of 1-isopropyl-1,2,3,4-tetrahydroisoquinoline derivatives as novel antihypertensive agents. | Chemical & pharmaceutical bulletin 20110101 |
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