CAS
76801-85-9 Purity
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76801-85-9 Purity
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Specification
The molecular formula is C8H12N2.
The molecular weight is 136.19 g/mol.
The IUPAC name is 3-(aminomethyl)-N-methylaniline.
The Canonical SMILES is CNC1=CC=CC(=C1)CN.
The InChIKey is XDEDGESLTYFNGL-UHFFFAOYSA-N.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 38 ?2.
It has 2 rotatable bond counts.
Yes, the compound is canonicalized.
It was created on 2005-07-19 and last modified on 2023-12-30.