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

L-Methionine,N-benzoyl-, methyl ester

CAS No.:15663-27-1
Molecular Weight:300.04504
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

5. Computational chemical data
  • Molecular Weight:300.04504g/mol
  • Molecular Formula:C5H9NS
  • 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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