CAS
96998-61-7 Purity
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96998-61-7 Purity
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The molecular formula is C6H7ClN2.
The molecular weight is 142.58 g/mol.
The IUPAC name is (6-chloropyridin-3-yl)methanamine.
The InChI is InChI=1S/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2.
The InChIKey is XPARFBOWIYMLMY-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=NC=C1CN)Cl.
The CAS number is 97004-04-1.
The EC number is 619-497-6.
The hydrogen bond donor count is 1.
Yes, 5-(Aminomethyl)-2-Chloropyridine is canonicalized.