850375-09-6
TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
NameTERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
pro_formulaC16 H23 I N2 O2
1Identification
【Name】
TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
【CAS】
【MDL】
MFCD06658978
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H23 I N2 O2
【pro_molWeight】
402.27
【Inchi】
InChI=1S/C16H23IN2O2/c1-16(2,3)21-15(20)19-9-7-18(8-10-19)12-13-5-4-6-14(17)11-13/h4-6,11H,7-10,12H2,1-3H3
【InChIKey】
InChIKey=JLVMTCLEBCUNPU-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)Cc2cccc(c2)I
【MOL File】
TERT-BUTYL 4-(3-IODO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE.cml