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207226-30-0

207226-30-0 | Ethanone, 2-[bis(phenylmethyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-, hydrochloride (1:1)

CAS No: 207226-30-0 Catalog No: AG002IW8 MDL No:

Product Description

Catalog Number:
AG002IW8
Chemical Name:
Ethanone, 2-[bis(phenylmethyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-, hydrochloride (1:1)
CAS Number:
207226-30-0
Molecular Formula:
C23H24ClNO3
Molecular Weight:
397.8946
IUPAC Name:
2-(dibenzylamino)-1-(4-hydroxy-3-methoxyphenyl)ethanone;hydrochloride
InChI:
InChI=1S/C23H23NO3.ClH/c1-27-23-14-20(12-13-21(23)25)22(26)17-24(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19;/h2-14,25H,15-17H2,1H3;1H
InChI Key:
HEVRTBQBWPPTET-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C(=O)CN(Cc1ccccc1)Cc1ccccc1.Cl

Properties

Complexity:
423  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.144g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
397.899g/mol
Monoisotopic Mass:
397.144g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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