929974-41-4
2-AMINO-1-(4-HYDROXYPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
Name2-AMINO-1-(4-HYDROXYPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
1Identification
【Name】
2-AMINO-1-(4-HYDROXYPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD08729224
【EnglishSynonyms】
【pro_formula】
C13 H13 N3 O
【pro_molWeight】
227.266
【Inchi】
InChI=1S/C13H13N3O/c1-8-9(2)16(13(15)12(8)7-14)10-3-5-11(17)6-4-10/h3-6,17H,15H2,1-2H3
【InChIKey】
InChIKey=ORLWWXAAGUIXEC-UHFFFAOYSA-N
【SMILES】
Cc1c(n(c(c1C#N)N)c2ccc(cc2)O)C
【MOL File】
2-AMINO-1-(4-HYDROXY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
2-AMINO-1-(4-HYDROXYPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE.cml