CAS
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Specification
The molecular formula is C6H16ClN.
The molecular weight is 137.65 g/mol.
The IUPAC name is N-ethylbutan-2-amine;hydrochloride.
The InChI is InChI=1S/C6H15N.ClH/c1-4-6(3)7-5-2;/h6-7H,4-5H2,1-3H3;1H.
The InChIKey is PMIDEDMVPGAHQP-UHFFFAOYSA-N.
The canonical SMILES is CCC(C)NCC.Cl.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 1.
N-Ethylbutan-2-amine hydrochloride has 3 rotatable bonds.
The topological polar surface area is 12Ų.