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Benzenemethanol,4-methoxy-a-phenyl-a-[[(phenylmethyl)amino]methyl]-,hydrochloride (1:1) 5443-66-3 98%
【Name】
Benzenemethanol,4-methoxy-a-phenyl-a-[[(phenylmethyl)amino]methyl]-,hydrochloride (1:1)
【CAS Registry number】
5443-66-3
【Synonyms】
Benzenemethanol,4-methoxy-a-phenyl-a-[[(phenylmethyl)amino]methyl]-,hydrochloride (9CI)
NSC 19836
【Molecular Formula】
C22H23 N O2 . Cl H (Products with the same molecular formula)
【Molecular Weight】
333.4235
【Inchi】
InChI=1/C22H23NO2/c1-25-21-14-12-20(13-15-21)22(24,19-10-6-3-7-11-19)17-23-16-18-8-4-2-5-9-18/h2-15,23-24H,16-17H2,1H3
【Canonical SMILES】
COC1=CC=C(C=C1)C(CNCC2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-]
【Isomers smiles】
COC1=CC=C(C=C1)C(CNCC2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-]
Chemical and Physical Properties
【Density】
1.135g/cm3
【Boiling Point】
509.2°C at 760 mmHg
【Refractive Index】
1.601
【Flash Point】
261.8°C
【Computed Properties】
Molecular Weight:368.87652 [g/mol]
Molecular Formula:C22H23ClNO2-
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:7
Exact Mass:368.141732
MonoIsotopic Mass:368.141732
Topological Polar Surface Area:41.5
Heavy Atom Count:26
Formal Charge:-1
Complexity:368
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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