O-ALLYL-N-BENZYLCINCHONDINIUM BROMIDE

CAS No.
158195-40-5
CCD No.
CCD00564441
Formula
C29 H33 N2 O . Br
MolWeight
505.497

Basic Information

Product Name: O-ALLYL-N-BENZYLCINCHONDINIUM BROMIDE
CAS: 158195-40-5
English Synonyms: O-ALLYL-N-BENZYLCINCHONDINIUM BROMIDE ; O-ALLYL-N-BENZYLCINCHONIDINIUM BROMIDE
MDL Number.: MFCD06799017
H bond acceptor: 3
H bond donor: 0
Smile: C=CCO[C@H](c1ccnc2c1cccc2)[C@@H]3C[C@@H]4CC[N+]3(C[C@@H]4C=C)Cc5ccccc5.[Br-]
InChi: InChI=1S/C29H33N2O.BrH/c1-3-18-32-29(26-14-16-30-27-13-9-8-12-25(26)27)28-19-24-15-17-31(28,21-23(24)4-2)20-22-10-6-5-7-11-22;/h3-14,16,23-24,28-29H,1-2,15,17-21H2;1H/q+1;/p-1/t23-,24-,28-,29+,31?;/m0./s1
InChiKey: InChIKey=PMBXATROGBSNCU-PCOYAJJYSA-M

Property

Melting Point: 140-144 DEG C (DEC)(LIT)
Comments: OPTICAL ACTIVITY: [ALPHA]20/D -158 DEG, C = 1 IN CHLOROFORM
OTHER NOTES: CONTAINS VARYING AMOUNTS OF O-ALLYL-N-BENZYLCINCHONIDINIUM CHLORIDE
UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36
WGK Germany: 3

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