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178600-17-4 | Benzeneacetic acid, 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]-, hydrochloride (1:1)
CAS No: 178600-17-4 Catalog No: AG002664 MDL No:
Product Description
Catalog Number:
AG002664
Chemical Name:
Benzeneacetic acid, 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]-, hydrochloride (1:1)
CAS Number:
178600-17-4
Molecular Formula:
C18H22ClNO4
Molecular Weight:
351.8246
IUPAC Name:
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid;hydrochloride
InChI:
InChI=1S/C18H21NO4.ClH/c20-17(15-4-2-1-3-5-15)13-19-10-11-23-16-8-6-14(7-9-16)12-18(21)22;/h1-9,17,19-20H,10-13H2,(H,21,22);1H/t17-;/m0./s1
InChI Key:
KCEFVYIWOQSJCH-LMOVPXPDSA-N
SMILES:
OC(=O)Cc1ccc(cc1)OCCNC[C@@H](c1ccccc1)O.Cl
UNII:
N251Q608VU
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
351.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
351.827g/mol
Monoisotopic Mass:
351.124g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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