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2155852-09-6 | methyl 2-amino-3-phenylbutanoate hydrochloride
CAS No: 2155852-09-6 Catalog No: AG01FK8T MDL No:
Product Description
Catalog Number:
AG01FK8T
Chemical Name:
methyl 2-amino-3-phenylbutanoate hydrochloride
CAS Number:
2155852-09-6
Molecular Formula:
C11H16ClNO2
Molecular Weight:
229.7032
IUPAC Name:
methyl 2-amino-3-phenylbutanoate;hydrochloride
InChI:
InChI=1S/C11H15NO2.ClH/c1-8(10(12)11(13)14-2)9-6-4-3-5-7-9;/h3-8,10H,12H2,1-2H3;1H
InChI Key:
KDGBOPKGNYIOGM-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(c1ccccc1)C)N.Cl
Properties
Complexity:
188
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:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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