CAS 2899-36-7 Ethyl L-methionate hydrochloride (HCID 3083785)

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Basic information

CAS: 2899-36-7
Standard SMILES: CCOC(=O)[C@@H](N)CCSC.Cl
InChIKey: KPWCQEUBJAIORR-RGMNGODLSA-N
Molecular formula: C7H16ClNO2S
Average molar mass: 213.73 g/mol
Monoisotopic mass: 213.05902743

Names & identifiers

Preferred name: Ethyl L-methionate hydrochloride
IUPAC: ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
English name: Ethyl L-methionate hydrochloride
Molecular formula: C7H16ClNO2S
Molecular weight: 213.73

Names & synonyms

2899-36-7L-Methionine ethyl ester hydrochlorideEthyl L-methionate hydrochlorideH-Met-OEt.HClEthyl L-methioninate hydrochlorideL-METHIONINE ETHYL ESTER HClMFCD00012508L-Methionine, ethyl ester, hydrochlorideL-Methionine, ethyl ester, hydrochloride (1:1)SCHEMBL134493methionine ethyl ester hydrochlorideAKOS015845152

Show more names

Met-Oet.HClL-Met-OEt·HClH-L-Met-OEt*HClMETHIONINE-OET HCLL-Methionine ethyl eH-MET-OET HYDROCHLORIDEEthyl L-methiote hydrochloride

H-MET-OET HCLMethionine, ethyl ester, hydrochloride, L-SR-01000641093-1ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochlorideethyl (2S)-2-amino-4-methylsulfanyl-butanoate;hydrochlorideEthylL-methionatehydrochlorideEthyl L-Methionine HydrochlorideNSC-401317

Database identifiers

CAS: 2899-36-7
PubChem CID: 3083785

Properties

Computed structural properties

Topological polar surface area: 77.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 12
Formal charge: 0
Complexity: 119

Physicochemical properties

Melting point: 90 · 90-92 °C(lit.)
alpha: 21 · 21 º (c=2 in ethanol)
Boiling point: 258 ° · 258°
Flash point: 110 ° · 110°
storage temp.: Inert atmosphere,Room Temperature
form: Solid
color: White to off-white
optical activity: 25 · [α]25/D +21°, c = 2 in ethanol
BRN: 3913812 · 3913812
Major Application: peptide synthesis
InChI: 1S/C7H15NO2S.ClH/c1-3-10-7(9)6(8)4-5-11-2;/h6H,3-5,8H2,1-2H3;1H/t6-;/m0./s1
InChIKey: KPWCQEUBJAIORR-RGMNGODLSA-N
SMILES: Cl[H].CCOC(=O)[C@@H](N)CCSC
CAS DataBase Reference: 2899 · 2899-36-7(CAS DataBase Reference)
FDA UNII: 6 KV3C75EG · Q6KV3C75EG
UNSPSC Code: 12352200 · 12352200

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29309090
Signal word: Danger
Symbol(GHS): GHS07,GHS02
hazard_code: Xi
safety_code: 22-24/25
Storage Class: 13 - Non Combustible Solids
Hazard statements: H332-H319-H335-H336-H225
Precautionary statements: P501-P261-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P303+P361+P353-P304+P340+P312-P403+P233-P403+P235-P405