CAS
90556-87-9 Purity
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90556-87-9 Purity
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The molecular formula is C9H10N2.
The molecular weight is 146.19 g/mol.
The IUPAC name is 4-N-prop-2-ynylbenzene-1,4-diamine.
The InChI is InChI=1S/C9H10N2/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6,11H,7,10H2.
The InChIKey is BULPLEZIUAPBKW-UHFFFAOYSA-N.
The Canonical SMILES is C#CCNC1=CC=C(C=C1)N.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 38 Ų.
It has 2 rotatable bond counts.
Yes, it is a canonicalized compound.