30341-92-5

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30341-92-5 Structure

Identification	Back Directory
[Name] ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER
[CAS] 30341-92-5
[Synonyms] ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER 6-nor-9,10-dihydrolysergic acid methyl ester Ergoline-8-carboxylic acid, methyl ester, (8β)-
[Molecular Formula] C16H18N2O2
[MDL Number] MFCD07368165
[MOL File] 30341-92-5.mol
[Molecular Weight] 270.33

Chemical Properties	Back Directory
[Boiling point ] 469.8±45.0 °C(Predicted)
[density ] 1.248±0.06 g/cm3(Predicted)
[pka] 17.40±0.40(Predicted)
[InChI] InChI=1/C16H18N2O2/c1-20-16(19)10-5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18-8-10/h2-4,7,10,12,14,17-18H,5-6,8H2,1H3/t10-,12-,14-/s3
[InChIKey] ORIBUSCBDFDAIQ-ZEQFDAOSNA-N
[SMILES] C([C@H]1CN[C@]2([H])CC3=CNC4=CC=CC(=C34)[C@@]2([H])C1)(=O)OC \|&1:1,4,16,r\|

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H312-H332
[Precautionary statements ] P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312

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