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Isoquinoline,1,2,3,4-tetrahydro-1-phenyl-, hydrochloride (1:1) 5464-92-6 98%
【Name】
Isoquinoline,1,2,3,4-tetrahydro-1-phenyl-, hydrochloride (1:1)
【CAS Registry number】
5464-92-6
【Synonyms】
Isoquinoline,1,2,3,4-tetrahydro-1-phenyl-, hydrochloride (9CI)
NSC 27171
S 50
【Molecular Formula】
C15H15 N . Cl H (Products with the same molecular formula)
【Molecular Weight】
209.29
【Inchi】
InChI=1/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
【Canonical SMILES】
C1CNC(C2=CC=CC=C21)C3=CC=CC=C3.[Cl-]
【MOL File】
5464-92-6.mol
Chemical and Physical Properties
【Boiling Point】
369.4°C at 760 mmHg
【Flash Point】
177.2°C
【Computed Properties】
Molecular Weight:244.7393 [g/mol]
Molecular Formula:C15H15ClN-
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:244.089302
MonoIsotopic Mass:244.089302
Topological Polar Surface Area:12
Heavy Atom Count:17
Formal Charge:-1
Complexity:220
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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