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27722-05-0 | Benzeneacetic acid, α-cyclohexyl-α-methyl-, 2-(dimethylamino)ethyl ester, hydrochloride (1:1)
CAS No: 27722-05-0 Catalog No: AG002UMA MDL No:
Product Description
Catalog Number:
AG002UMA
Chemical Name:
Benzeneacetic acid, α-cyclohexyl-α-methyl-, 2-(dimethylamino)ethyl ester, hydrochloride (1:1)
CAS Number:
27722-05-0
Molecular Formula:
C19H30ClNO2
Molecular Weight:
339.9000
IUPAC Name:
2-(dimethylamino)ethyl 2-cyclohexyl-2-phenylpropanoate;hydrochloride
InChI:
InChI=1S/C19H29NO2.ClH/c1-19(16-10-6-4-7-11-16,17-12-8-5-9-13-17)18(21)22-15-14-20(2)3;/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3;1H
InChI Key:
OHGKMTPRIRSFHW-UHFFFAOYSA-N
SMILES:
CN(CCOC(=O)C(c1ccccc1)(C1CCCCC1)C)C.Cl
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.197g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.904g/mol
Monoisotopic Mass:
339.197g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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