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1810070-01-9 | Benzenebutanoic acid, γ-amino-4-methyl-, hydrochloride (1:1)
CAS No: 1810070-01-9 Catalog No: AG0022K9 MDL No:MFCD28986164
Product Description
Catalog Number:
AG0022K9
Chemical Name:
Benzenebutanoic acid, γ-amino-4-methyl-, hydrochloride (1:1)
CAS Number:
1810070-01-9
Molecular Formula:
C11H16ClNO2
Molecular Weight:
229.7032
MDL Number:
MFCD28986164
IUPAC Name:
4-amino-4-(4-methylphenyl)butanoic acid;hydrochloride
InChI:
InChI=1S/C11H15NO2.ClH/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H
InChI Key:
UEXGINOZWJGYAC-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)C)CCC(=O)O.Cl
Properties
Complexity:
186
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:
3
Isotope Atom Count:
0
Molecular Weight:
229.704g/mol
Monoisotopic Mass:
229.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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