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101491-85-4 | Carbamic acid, [2-(3,5-dimethylphenoxy)-1-methylethyl]ethyl-, 2-(diethylamino)ethyl ester, monohydrochloride (9CI)
CAS No: 101491-85-4 Catalog No: AG0004MH MDL No:
Product Description
Catalog Number:
AG0004MH
Chemical Name:
Carbamic acid, [2-(3,5-dimethylphenoxy)-1-methylethyl]ethyl-, 2-(diethylamino)ethyl ester, monohydrochloride (9CI)
CAS Number:
101491-85-4
Molecular Formula:
C20H35ClN2O3
Molecular Weight:
386.9565
IUPAC Name:
2-[1-(3,5-dimethylphenoxy)propan-2-yl-ethylcarbamoyl]oxyethyl-diethylazanium;chloride
InChI:
InChI=1S/C20H34N2O3.ClH/c1-7-21(8-2)10-11-24-20(23)22(9-3)18(6)15-25-19-13-16(4)12-17(5)14-19;/h12-14,18H,7-11,15H2,1-6H3;1H
InChI Key:
AAXLJRGLJUBBDQ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)OCCN(CC)CC)C(COc1cc(C)cc(c1)C)C.Cl
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.234g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.961g/mol
Monoisotopic Mass:
386.234g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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