-
Name
N-(2,6-Dimethylphenyl)-N-methoxyalanine methyl ester
- EINECS
- CAS No. 123298-28-2
- Density 1.079g/cm3
- Solubility
- Melting Point
- Formula C13H19 N O3
- Boiling Point 302.4°Cat760mmHg
- Molecular Weight 237.33
- Flash Point 136.7°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion and inhalation. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols Moderately toxic by ingestion and inhalation.
- Synonyms DL-Alanine,N-(2,6-dimethylphenyl)-N-methoxy-, methyl ester; Agromet
- PSA 38.77000
- LogP 2.23270
N-(2,6-Dimethylphenyl)-N-methoxyalanine methyl ester Chemical Properties
IUPAC Name: Methyl (2S)-2-(N-methoxy-2,6-dimethylanilino)propanoate
Synonyms of N-(2,6-Dimethylphenyl)-N-methoxyalanine methyl ester (CAS NO.123298-28-2): Agromet ; DL-Alanine, N-(2,6-dimethylphenyl)-N-methoxy-, methyl ester ; Alanine, N-(2,6-dimethylphenyl)-N-methoxy-, methyl ester
InChI: InChI=1/C13H19NO3/c1-9-7-6-8-10(2)12(9)14(17-5)11(3)13(15)16-4/h6-8,11H,1-5H3/t11-/m0/s1
InChIKey: OABBFKUSJCCJFO-NSHDSACABZ
Std. InChI: InChI=1S/C13H19NO3/c1-9-7-6-8-10(2)12(9)14(17-5)11(3)13(15)16-4/h6-8,11H,1-5H3/t11-/m0/s1
Std. InChIKey: OABBFKUSJCCJFO-NSHDSACASA-N
CAS NO: 123298-28-2
Molecular Formula: C13H19NO3
Molecular Weight: 237.2949
Molecular Structure : .png)
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 38.77 Å2
Index of Refraction: 1.527
Molar Refractivity: 67.59 cm3
Molar Volume: 219.7 cm3
Surface Tension: 38 dyne/cm
Density: 1.079 g/cm3
Flash Point: 136.7 °C
Enthalpy of Vaporization: 54.26 kJ/mol
Boiling Point: 302.4 °C at 760 mmHg
Vapour Pressure: 0.000991 mmHg at 25°C
N-(2,6-Dimethylphenyl)-N-methoxyalanine methyl ester Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC | inhalation | > 600mg/m3/6H (600mg/m3) | Khigiena i Zdraveopazvane. Hygiene and Sanitation. Vol. 32(5), Pg. 22, 1989. | |
| rat | LD50 | oral | 566mg/kg (566mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Khigiena i Zdraveopazvane. Hygiene and Sanitation. Vol. 32(1), |
N-(2,6-Dimethylphenyl)-N-methoxyalanine methyl ester Safety Profile
Moderately toxic by ingestion and inhalation. Experimental reproductive effects. When N-(2,6-Dimethylphenyl)-N-methoxyalanine methyl ester (CAS NO.123298-28-2) is heated to decomposition, it emits toxic vapors of NOx.
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