DIMETHYL (1S,9S)-5-CYANOSEMICORRIN-1,9-DICARBOXYLATE

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Names

[ CAS No. ]:
105251-49-8

[ Name ]:
DIMETHYL (1S,9S)-5-CYANOSEMICORRIN-1,9-DICARBOXYLATE

[Synonym ]:
Dimethyl (1S,9S)-5-cyanosemicorrin-1,9-dicarboxylate
Semicorrin chiral ligand 1
(1S,9S)-dimethyl 5-cyanosemicorrin-1,9-dicarboxylate

Chemical & Physical Properties

[ Density]:
1.36g/cm3

[ Boiling Point ]:
410.8ºC at 760mmHg

[ Melting Point ]:
77-79ºC(lit.)

[ Molecular Formula ]:
C14H17N3O4

[ Molecular Weight ]:
291.30200

[ Flash Point ]:
202.2ºC

[ Exact Mass ]:
291.12200

[ PSA ]:
100.78000

[ LogP ]:
0.22988

[ Vapour Pressure ]:
5.88E-07mmHg at 25°C

[ Index of Refraction ]:
1.612

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
26-36