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1134776-39-8 | Benzoic acid, 4-[(1R)-1-aminoethyl]-, hydrochloride (1:1)
CAS No: 1134776-39-8 Catalog No: AG0008P8 MDL No:MFCD09832182
Product Description
Catalog Number:
AG0008P8
Chemical Name:
Benzoic acid, 4-[(1R)-1-aminoethyl]-, hydrochloride (1:1)
CAS Number:
1134776-39-8
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD09832182
IUPAC Name:
4-[(1R)-1-aminoethyl]benzoic acid;hydrochloride
InChI:
InChI=1S/C9H11NO2.ClH/c1-6(10)7-2-4-8(5-3-7)9(11)12;/h2-6H,10H2,1H3,(H,11,12);1H/t6-;/m1./s1
InChI Key:
GNWOFSYSPMCLJU-FYZOBXCZSA-N
SMILES:
C[C@H](c1ccc(cc1)C(=O)O)N.Cl
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.65g/mol
Monoisotopic Mass:
201.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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