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102281-01-6 | Phenol, 3-[2-(dimethylamino)ethoxy]-2-methyl-5-(1-methylethyl)-, hydrochloride (1:1)
CAS No: 102281-01-6 Catalog No: AG00073A MDL No:
Product Description
Catalog Number:
AG00073A
Chemical Name:
Phenol, 3-[2-(dimethylamino)ethoxy]-2-methyl-5-(1-methylethyl)-, hydrochloride (1:1)
CAS Number:
102281-01-6
Molecular Formula:
C14H24ClNO2
Molecular Weight:
273.7989
IUPAC Name:
2-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)ethyl-dimethylazanium;chloride
InChI:
InChI=1S/C14H23NO2.ClH/c1-10(2)12-7-6-11(3)13(16)14(12)17-9-8-15(4)5;/h6-7,10,16H,8-9H2,1-5H3;1H
InChI Key:
IRFSYHHMXAEECV-UHFFFAOYSA-N
SMILES:
CN(CCOc1cc(cc(c1C)O)C(C)C)C.Cl
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.15g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.801g/mol
Monoisotopic Mass:
273.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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