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20556-53-0 | Benzeneacetic acid, α-(hydroxymethyl)-4-(trimethylsilyl)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS No: 20556-53-0 Catalog No: AG002A6H MDL No:
Product Description
Catalog Number:
AG002A6H
Chemical Name:
Benzeneacetic acid, α-(hydroxymethyl)-4-(trimethylsilyl)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS Number:
20556-53-0
Molecular Formula:
C18H32ClNO3Si
Molecular Weight:
373.9901
IUPAC Name:
2-(diethylamino)ethyl 3-hydroxy-2-(4-trimethylsilylphenyl)propanoate;hydrochloride
InChI:
InChI=1S/C18H31NO3Si.ClH/c1-6-19(7-2)12-13-22-18(21)17(14-20)15-8-10-16(11-9-15)23(3,4)5;/h8-11,17,20H,6-7,12-14H2,1-5H3;1H
InChI Key:
BOIOZFIDWXADGG-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)[Si](C)(C)C)C(=O)OCCN(CC)CC.Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.993g/mol
Monoisotopic Mass:
373.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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