| Identification | Back Directory | [Name]
(3R)-(-)-3-(METHYL-1H-INDOL-3-YL)-3-PHENYLPROPIONIC ACID | [CAS]
406920-67-0 | [Synonyms]
(3R)-3-(1-methylindol-3-yl)-3-phenylpropanoic acid
1H-Indole-3-propanoic acid, 1-methyl-β-phenyl-, (βR)-
(3R)-(-)-3-(METHYL-1H-INDOL-3-YL)-3-PHENYLPROPIONIC ACID | [Molecular Formula]
C18H17NO2 | [MDL Number]
MFCD08702682 | [MOL File]
406920-67-0.mol | [Molecular Weight]
279.34 |
| Chemical Properties | Back Directory | [Melting point ]
135-139 °C | [Boiling point ]
464.1±30.0 °C(Predicted) | [density ]
1.15±0.1 g/cm3(Predicted) | [pka]
4.53±0.10(Predicted) | [Optical Rotation]
[α]20/D -44°, c = 1% in chloroform | [InChI]
1S/C18H17NO2/c1-19-12-16(14-9-5-6-10-17(14)19)15(11-18(20)21)13-7-3-2-4-8-13/h2-10,12,15H,11H2,1H3,(H,20,21)/t15-/m1/s1 | [InChIKey]
XVWRQAZBQVTVJA-OAHLLOKOSA-N | [SMILES]
Cn1cc([C@H](CC(O)=O)c2ccccc2)c3ccccc13 |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25-36/37/38-42/43 | [Safety Statements ]
26-36/37/39-45 | [RIDADR ]
UN 2811 6.1/PG 3 | [WGK Germany ]
3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
|
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