2-Aminomethyl-3-chloropyrazine HCl

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Product Description

Product2-Aminomethyl-3-chloropyrazine HCl
CAS22680-44-0
FormulaC7H9Cl2N

Typical Product Specifications

Molecular FormulaC7H9Cl2N
Canonicalized Compound1
Compound Complexity85
Hydrogen Bond Acceptor Count1
Hydrogen Bond Donor Count2
Rotatable Bond Count1
CAS-like Style IUPAC Name(2-chlorophenyl)methanamine;hydrochloride
Markup IUPAC Name(2-chlorophenyl)methanamine;hydrochloride
Preferred IUPAC Name(2-chlorophenyl)methanamine;hydrochloride
Systematic IUPAC Name(2-chlorophenyl)methanamine;hydrochloride
Traditional IUPAC Name(2-chlorobenzyl)amine;hydrochloride
Standard InChIInChI=1S/C7H8ClN.ClH/c8-7-4-2-1-3-6(7)5-9;/h1-4H,5,9H2;1H
Standard InChIKeyLXFIZCSCVYTFBU-UHFFFAOYSA-N
Exact Mass177.0112047
Molecular Weight178.06
Canonical SMILESC1=CC=C(C(=C1)CN)Cl.Cl
Isomeric SMILESC1=CC=C(C(=C1)CN)Cl.Cl
Polar Surface Area Topological26
MonoIsotopic Weight177.0112047
Allowed IUPAC Name(2-chlorophenyl)methanamine;hydrochloride
Chemical StructureChemical Structure
ClassSpecialty Materials
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