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29753-99-9 | Benzeneacetic acid, α-(aminomethyl)-, ethyl ester, hydrochloride (1:1)
CAS No: 29753-99-9 Catalog No: AG002ZAY MDL No:MFCD00267564
Product Description
Catalog Number:
AG002ZAY
Chemical Name:
Benzeneacetic acid, α-(aminomethyl)-, ethyl ester, hydrochloride (1:1)
CAS Number:
29753-99-9
Molecular Formula:
C11H16ClNO2
Molecular Weight:
229.7032
MDL Number:
MFCD00267564
IUPAC Name:
ethyl 3-amino-2-phenylpropanoate;hydrochloride
InChI:
InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H
InChI Key:
NNJRPZZMNBNRFJ-UHFFFAOYSA-N
SMILES:
NCC(c1ccccc1)C(=O)OCC.Cl
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.704g/mol
Monoisotopic Mass:
229.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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