72586-03-9
2-AMINO-1-(2-METHOXYPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
Name2-AMINO-1-(2-METHOXYPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
1Identification
【Name】
2-AMINO-1-(2-METHOXYPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD11209809
【English Synonyms】
【Formula】
C14 H15 N3 O
【MolWeight】
241.292
【Inchi】
InChI=1S/C14H15N3O/c1-9-10(2)17(14(16)11(9)8-15)12-6-4-5-7-13(12)18-3/h4-7H,16H2,1-3H3
【InChIKey】
InChIKey=VKXRTHFCGGBTEP-UHFFFAOYSA-N
【SMILES】
Cc1c(n(c(c1C#N)N)c2ccccc2OC)C
【MOL File】
2-AMINO-1-(2-METHOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-1-(2-METHOXYPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE.cml