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1982-67-8

Basic Information
CAS No.: 1982-67-8
Name: DL-METHIONINE DL-SULFOXIMINE
Article Data: 7
Molecular Structure:
Molecular Structure of 1982-67-8 (DL-METHIONINE DL-SULFOXIMINE)
Formula: C5H12 N2 O3 S
Molecular Weight: 180.228
Synonyms: Sulfoximine,S-(3-amino-3-carboxypropyl)-S-methyl-, DL- (6CI,8CI);DL-Methionine-DL-sulfoximine;Methionine sulfoximine;
EINECS: 217-845-8
Density: 1.46g/cm3
Melting Point: 214-218 °C (decomp)
Boiling Point: 352.2°Cat760mmHg
Flash Point: 166.8°C
Hazard Symbols:
Risk Codes: 36/37/38
Safety: Poison by intraperitoneal and intravenous routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of SOx and NOx.
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Chemistry

IUPAC Name: 2-Amino-4-(Methylsulfonimidoyl)butanoic acid 
Following is the structure of Methionine sulfoximine (CAS NO.1982-67-8):
                   
Empirical Formula: C5H12N2O3S
Molecular Weight: 180.2254 g/mol
EINECS: 217-845-8
Density: 1.46 g/cm3
Flash Point: 166.8 °C
Storage tempreture: 2-8°C
Surface Tension: 58.6 dyne/cm
Enthalpy of Vaporization: 65.59 kJ/mol
Boiling Point: 352.2 °C at 760 mmHg
Vapour Pressure: 6.63E-06 mmHg at 25 °C
Index of Refraction of Methionine sulfoximine (CAS NO.1982-67-8): 1.559
Product Categories of Methionine sulfoximine (CAS NO.1982-67-8):  Amino Acids
Canonical SMILES: CS(=N)(=O)CCC(C(=O)O)N
InChI: InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)
InChIKey: SXTAYKAGBXMACB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus LD50:218 mg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 94 (1957),12.
2.    

ivn-mus LD50:100 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#03652 .

Safety Profile

Poison by intraperitoneal and intravenous routes. An experimental teratogen. When heated to decomposition, Methionine sulfoximine (CAS NO.1982-67-8) emits toxic fumes of SOx and NOx.
Hazard Codes:IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: WS3560000

Specification

 Methionine sulfoximine , its cas register number is 1982-67-8. It also can be called 2-Amino-4-(S-methylsulfonimidoyl)butanoic acid ; DL-Methionine-DL-sulfoximine ; Methionine-DL-sulfoximine, DL- ; and Methionine-RS-sulfoximine, L- . Its classification code is Reproductive Effect .