L-Methionine,N-benzoyl-, methyl ester structure

3D Mol Similar

L-Methionine,N-benzoyl-, methyl ester

CAS No.：15663-27-1

Molecular Weight：300.04504

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1. Names and Identifiers

1.1 Name: L-Methionine,N-benzoyl-, methyl ester
1.2 Synonyms: 2-Benzoylamino-4-methylsulfanyl-butyric acid methyl ester AB02074 AC1L40LB AC1Q5L14 AKOS000676048 AKOS024307930 BAS 02998883 benzoyl-dl-methionine methyl ester EINECS 256-744-3 MCULE-4001026185 METHYL 2-BENZAMIDO-4-(METHYLTHIO)BUTANOATE Methyl N-benzoyl-L-methionate methyl n-benzoylmethioninate N-Benzoylmethioninmethylester NSC164033 SR-01000318266 SR-01000318266-1 α-N-benzoyl-DL-methionine methyl ester

1.3 CAS No.: 15663-27-1

1.4 Molecular Formula: C₅H₉NS (isomer)

1.5 Inchi: InChI=1S/2ClH.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+4/p-2

1.6 InChkey: InChIKey=LXZZYRPGZAFOLE-UHFFFAOYSA-L

1.7 Canonical Smiles: [NH2-].[NH2-].Cl[Pt+2]Cl

1.8 Isomers Smiles: [Cl-][Pt+2]([Cl-])([NH3])[NH3]

2. Properties

3.1 Melting point: 270℃

3.1 Precise Quality: 296.94000

3.1 PSA: 52.04000

3.1 logP: 1.59590

3. Safety and Handling

4.1 Symbol: GHS05;GHS06;GHS08;

4.1 Signal Word: DANGER

4.1 Risk Statements: R45;R25;R41

4.1 Safety Statements: S53;S26;S39;S45

4.1 Packing Group: II

4.1 Hazard Class: 6.1(a)

4.1 Hazard Declaration: H300; H318; H350

4.1 RIDADR: UN 1851/3288

4.1 Caution Statement: P201; P264; P280; P301 + P310; P305 + P351 + P338; P308 + P313

4.1 WGK Germany: 3

4.1 RTECS: TP2455000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 2

Serious eye damage, Category 1

Carcinogenicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H300 Fatal if swallowed H318 Causes serious eye damage H350 May cause cancer
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood.
Response	P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026 P308+P313 IF exposed or concerned: Get medical advice/ attention.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Computational chemical data

Molecular Weight：300.04504g/mol
Molecular Formula：C_₅H_₉NS
Exact Mass：298.955578
Monoisotopic Mass：298.955578
Complexity：0
Rotatable Bond Count：0
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：2
Heavy Atom Count：5
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：5

6. Question & Answer

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