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27674-55-1 | Benzhydrol, α-[2-(diethylamino)-1-(methoxymethyl)ethyl]-, hydrochloride (8CI)
CAS No: 27674-55-1 Catalog No: AG002UEK MDL No:
Product Description
Catalog Number:
AG002UEK
Chemical Name:
Benzhydrol, α-[2-(diethylamino)-1-(methoxymethyl)ethyl]-, hydrochloride (8CI)
CAS Number:
27674-55-1
Molecular Formula:
C21H30ClNO2
Molecular Weight:
363.9214
IUPAC Name:
2-(diethylaminomethyl)-3-methoxy-1,1-diphenylpropan-1-ol;hydrochloride
InChI:
InChI=1S/C21H29NO2.ClH/c1-4-22(5-2)16-20(17-24-3)21(23,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20,23H,4-5,16-17H2,1-3H3;1H
InChI Key:
GURRNOAXMKXPCD-UHFFFAOYSA-N
SMILES:
COCC(C(c1ccccc1)(c1ccccc1)O)CN(CC)CC.Cl
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.197g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.926g/mol
Monoisotopic Mass:
363.197g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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