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5464-92-6 | Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, hydrochloride
CAS No: 5464-92-6 Catalog No: AG00I9RK MDL No:MFCD05744757
Product Description
Catalog Number:
AG00I9RK
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, hydrochloride
CAS Number:
5464-92-6
Molecular Formula:
C15H16ClN
Molecular Weight:
245.7472
MDL Number:
MFCD05744757
IUPAC Name:
1-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C15H15N.ClH/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h1-9,15-16H,10-11H2;1H
InChI Key:
CPJJLGSNPKSIJC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1NCCc2c1cccc2.Cl
EC Number:
611-179-5
NSC Number:
27171
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.75g/mol
Monoisotopic Mass:
245.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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