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88720-28-9 | Glycine, N-[[3-(1-methylethyl)phenyl]methyl]-, hydrochloride
CAS No: 88720-28-9 Catalog No: AG0045TL MDL No:
Product Description
Catalog Number:
AG0045TL
Chemical Name:
Glycine, N-[[3-(1-methylethyl)phenyl]methyl]-, hydrochloride
CAS Number:
88720-28-9
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
IUPAC Name:
2-[(3-propan-2-ylphenyl)methylamino]acetic acid;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-9(2)11-5-3-4-10(6-11)7-13-8-12(14)15;/h3-6,9,13H,7-8H2,1-2H3,(H,14,15);1H
InChI Key:
HLWYDRJOJWIABU-UHFFFAOYSA-N
SMILES:
OC(=O)CNCc1cccc(c1)C(C)C.Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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