CAS
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Specification
PubChem CID 44890758.
The molecular formula is C4H9Cl2N.
The molecular weight is 142.02 g/mol.
The IUPAC name is (Z)-3-chlorobut-2-en-1-amine;hydrochloride.
The InChI is InChI=1S/C4H8ClN.ClH/c1-4(5)2-3-6;/h2H,3,6H2,1H3;1H/b4-2-.
The InChIKey is FNXILSDJRCHUDK-MKHFZPSSSA-N.
The canonical SMILES is CC(=CCN)Cl.Cl.
The isomeric SMILES is C/C(=C/CN)/Cl.Cl.
It has 2 hydrogen bond donor counts.
It has 1 hydrogen bond acceptor count.