99361-84-9 Purity
96%
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Specification
The molecular formula of CHEMBRDG-BB 4003359 is C9H12N2O2.
The molecular weight of CHEMBRDG-BB 4003359 is 180.20 g/mol.
The IUPAC name of CHEMBRDG-BB 4003359 is 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid.
The InChI of CHEMBRDG-BB 4003359 is InChI=1S/C9H12N2O2/c1-11(7-9(12)13)6-8-3-2-4-10-5-8/h2-5H,6-7H2,1H3,(H,12,13).
The InChIKey of CHEMBRDG-BB 4003359 is SJHDAHRJTPYHED-UHFFFAOYSA-N.
The canonical SMILES of CHEMBRDG-BB 4003359 is CN(CC1=CN=CC=C1)CC(=O)O.
The CAS number of CHEMBRDG-BB 4003359 is 99362-37-5.
The XLogP3 value of CHEMBRDG-BB 4003359 is -2.2.
There is 1 hydrogen bond donor count in CHEMBRDG-BB 4003359.
There are 4 rotatable bond counts in CHEMBRDG-BB 4003359.