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| CAS No.: | 26693-55-0 | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Name: | (-)-CIS-2-BENZAMIDOCYCLOHEXANECARBOXYLIC ACID | ||||||||
| Article Data: | 3 | ||||||||
| Molecular Structure: | |||||||||
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| Formula: | C14H17 N O3 | ||||||||
| Molecular Weight: | 247.294 | ||||||||
| Synonyms: | Cyclohexanecarboxylicacid, 2-(benzoylamino)-, (1R-cis)-; Cyclohexanecarboxylic acid, 2-benzamido-,(1R,2S)-(-)- (8CI); (1R,2S)-2-(Benzoylamino)cyclohexanecarboxylic acid | ||||||||
| Density: | 1.21g/cm3 | ||||||||
| Melting Point: |
205-209 °C(lit.) |
||||||||
| Boiling Point: | 506.1°Cat760mmHg | ||||||||
| Flash Point: | 259.9°C | ||||||||
| Hazard Symbols: |
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| Risk Codes: | 36/37/38 | ||||||||
| Safety: |
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| PSA: | 66.40000 | ||||||||
| LogP: | 2.45070 | ||||||||
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Chemistry
Systematic Name: (1R,2S)-2-(Benzoylamino)cyclohexanecarboxylic acid
Synonyms of (1S,2S)-2-Benzamidocyclohexane-1-carboxylate (CAS NO.26693-55-0): (-)-cis-2-Benzamidocyclohexanecarboxylic acid ; cis-(1R,2S)-(-)-2-Benzamidocyclohexanecarboxylic acid ;(1R,2S)-2-(Benzoylamino)cyclohexanecarboxylic acid ; (1R,2S)-(-)-2-Benzamidocyclohexane carboxylic acid ; (1R,2S)-2-Benzamido-cyclohexanecarboxylic acid ; Benzamidocyclohexanecarboxylicacid: 98% ; (1R,2S)-(-)-2-Benzamido-cyclohexanecarb& ; (1R,2S)-(-)-2-Benzamidocyclohexane carboxylicacid,98%
CAS NO: 26693-55-0
Molecular Formula: C14H17NO3
Molecular Weight: 247.29
Molecular Structure: 
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 46.61 Å2
Index of Refraction: 1.574
Molar Refractivity: 67.12 cm3
Molar Volume: 203.1 cm3
Surface Tension: 52.2 dyne/cm
Density: 1.21 g/cm3
Flash Point: 259.9 °C
Enthalpy of Vaporization: 81.7 kJ/mol
Melting Point: 205-209 °C(lit.)
Boiling Point: 506.1 °C at 760 mmHg
Vapour Pressure: 4.59E-11 mmHg at 25°C
Appearance: (1S,2S)-2-Benzamidocyclohexane-1-carboxylate (CAS NO.26693-55-0) is white to light yellow crystal powder.
InChI: InChI=1/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+/m1/s1
InChIKey: PUANNVQABXUYKU-NEPJUHHUBD
Std. InChI: 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+/m1/s1
Std. InChIKey: PUANNVQABXUYKU-NEPJUHHUSA-N
Product Categories of (1S,2S)-2-benzamidocyclohexane-1-carboxylate (CAS NO.26693-55-0): chiral;Carboxylic Acids (Chiral);Chiral Building Blocks;for Resolution of Bases;Optical Resolution;Synthetic Organic Chemistry
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: (1S,2S)-2-benzamidocyclohexane-1-carboxylate (CAS NO.26693-55-0) is irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store in a cool, dry place. Store in a tightly closed container.