90389-92-7 Purity
96%
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Specification
The molecular formula of Chembrdg-bb 5527337 is C10H14N2O2.
The molecular weight of Chembrdg-bb 5527337 is 194.23 g/mol.
The IUPAC name of Chembrdg-bb 5527337 is N-[(3-nitrophenyl)methyl]propan-2-amine.
The InChI of Chembrdg-bb 5527337 is InChI=1S/C10H14N2O2/c1-8(2)11-7-9-4-3-5-10(6-9)12(13)14/h3-6,8,11H,7H2,1-2H3.
The InChIKey of Chembrdg-bb 5527337 is WKELDPMQVANRBL-UHFFFAOYSA-N.
The Canonical SMILES of Chembrdg-bb 5527337 is CC(C)NCC1=CC(=CC=C1)[N+](=O)[O-].
The CAS number of Chembrdg-bb 5527337 is 90390-05-9.
The ChEMBL ID of Chembrdg-bb 5527337 is CHEMBL1616032.
The XLogP3 value of Chembrdg-bb 5527337 is 2.3.
Yes, Chembrdg-bb 5527337 is a canonicalized compound.