CAS
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Specification
The molecular formula is C7H16ClNO2.
The molecular weight is 181.66 g/mol.
The IUPAC name is 2-(aminomethyl)-2-ethylbutanoic acid; hydrochloride.
The InChI is InChI=1S/C7H15NO2.ClH/c1-3-7(4-2,5-8)6(9)10;/h3-5,8H2,1-2H3,(H,9,10);1H.
The InChIKey is YFDQYGOWWNOYRQ-UHFFFAOYSA-N.
The Canonical SMILES is CCC(CC)(CN)C(=O)O.Cl.
The CAS number is 1086265-11-3.
The EC number is 802-019-7.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 3.