83010-56-4
3-(1-CYCLOPROPYLMETHYL-1,2,5,6-TETRAHYDROPYRIDIN-3-YL)PHENOL FUMARATE
Name3-(1-CYCLOPROPYLMETHYL-1,2,5,6-TETRAHYDROPYRIDIN-3-YL)PHENOL FUMARATE
pro_formula2 C15 H19 N O . C4 H4 O4
1Identification
【Name】
3-(1-CYCLOPROPYLMETHYL-1,2,5,6-TETRAHYDROPYRIDIN-3-YL)PHENOL FUMARATE
【CAS】
【MDL】
MFCD01763318
【中文同义词】
【EnglishSynonyms】
【pro_formula】
2 C15 H19 N O . C4 H4 O4
【pro_molWeight】
574.714
【Inchi】
InChI=1S/2C15H19NO.C4H4O4/c2*17-15-5-1-3-13(9-15)14-4-2-8-16(11-14)10-12-6-7-12;5-3(6)1-2-4(7)8/h2*1,3-5,9,12,17H,2,6-8,10-11H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+
【InChIKey】
InChIKey=PXBIGNMTOXPASF-WXXKFALUSA-N
【SMILES】
c1cc(cc(c1)O)C2=CCCN(C2)CC3CC3.c1cc(cc(c1)O)C2=CCCN(C2)CC3CC3.C(=C/C(=O)O)\C(=O)O
【MOL File】
3-(1-CYCLOPROPYLMETH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:2
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(1-CYCLOPROPYLMETHYL-1,2,5,6-TETRAHYDROPYRIDIN-3-YL)PHENOL FUMARATE.cml