587868-36-8
METHYL 3-AMINO-4-CYANO-1-METHYL-1H-PYRROLE-2-CARBOXYLATE
NameMETHYL 3-AMINO-4-CYANO-1-METHYL-1H-PYRROLE-2-CARBOXYLATE
1Identification
【Name】
METHYL 3-AMINO-4-CYANO-1-METHYL-1H-PYRROLE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD09802107
【English Synonyms】
【Formula】
C8 H9 N3 O2
【MolWeight】
179.178
【Inchi】
InChI=1S/C8H9N3O2/c1-11-4-5(3-9)6(10)7(11)8(12)13-2/h4H,10H2,1-2H3
【InChIKey】
InChIKey=GIRTVQIOOCBWQP-UHFFFAOYSA-N
【SMILES】
Cn1cc(c(c1C(=O)OC)N)C#N
【MOL File】
METHYL 3-AMINO-4-CYA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 3-AMINO-4-CYANO-1-METHYL-1H-PYRROLE-2-CARBOXYLATE.cml