26685-82-5

Name (+)-CIS-2-BENZAMIDOCYCLOHEXANECARBOXYLIC ACID
CAS 26685-82-5
Molecular Formula C14H17NO3
MDL Number MFCD00078300
Molecular Weight 247.29
MOL File 26685-82-5.mol
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Chemical Properties

Appearance white to light yellow crystal powde
Melting point  205-209 °C(lit.)
Boiling point  506.1±43.0 °C(Predicted)
density  1.21±0.1 g/cm3(Predicted)
refractive index  36.5 ° (C=0.5, EtOH)
storage temp.  2-8°C
form  solid
pka 4.58±0.44(Predicted)
Optical Rotation [α]20/D +34°, c = 1% in chloroform
BRN  4946668
InChI 1S/C14H17NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKey PUANNVQABXUYKU-NWDGAFQWSA-N
SMILES OC(=O)[C@H]1CCCC[C@H]1NC(=O)c2ccccc2
CAS DataBase Reference 26685-82-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
HS Code  29242998
Storage Class 11 - Combustible Solids

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