Methyl L-threoninate hydrochloride

HCID 2734893CAS 39994-75-7

기본 정보

표준 SMILES: COC(=O)[C@@H](N)[C@@H](C)O.Cl
InChIKey: OZSJLLVVZFTDEY-HJXLNUONSA-N
분자식: C5H12ClNO3
평균 분자량: 169.61 g/mol
단동위원소 질량: 169.05057092

이름 및 식별자

우선 이름: Methyl L-threoninate hydrochloride
IUPAC: methyl (2S,3R)-2-amino-3-hydroxybutanoate;hydrochloride
영어명: Methyl L-threoninate hydrochloride
분자식: C5H12ClNO3
분자량: 169.61

이름 및 동의어

39994-75-7Methyl L-threoninate hydrochlorideL-Threonine, methyl ester, hydrochlorideMethyl L-threoninate HClEINECS 254-738-5DTXSID20193049RefChem:817827DTXCID80115540L-Threonine, methyl ester, hydrochloride (1:1)254-738-5L-Threonine methyl ester hydrochlorideH-Thr-OMe.HCl

이름 더 보기

H-THR-OME·HCLL-Threonine Methyl Ester HClThr-ome.HClH-THR-OME HCLH-L-THR-OME HCLL-threonineamideTHREONINE-OME HCLLysine Impurity 7H-Thr-OMe·HCl(oil)

MFCD00037677(2S,3R)-methyl 2-amino-3-hydroxybutanoate hydrochlorideDL-Threonine methyl ester hydrochlorideTHREONINE METHYL ESTER HYDROCHLORIDEmethyl (2S,3R)-2-amino-3-hydroxybutanoate;hydrochloridemethyl (2S,3R)-2-amino-3-hydroxybutanoate hydrochloride[(2S,3R)-3-Hydroxy-1-methoxy-1-oxobutan-2-yl]azanium;chlorideM02985

데이터베이스 식별자

CAS: 39994-75-7
PubChem CID: 2734893
DTXSID: DTXSID20193049
ChEMBL: CHEMBL1221904
EC Number: 254-738-5

물성

구조 계산 물성

극성 표면적: 72.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 104

물리화학적 성질

녹는점: 64 °C · 64 °C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태: 가루
색상: 하얀색
수용성: 물에 용해됩니다.
BRN: 3562717 · 3562717
InChI: 1S/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H/t3,4-;/m0./s1
InChIKey: OZSJLLVVZFTDEY-LXNQBTANSA-N
SMILES: Cl.COC(=O)[C@@H](N)C(C)O

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationL-Threonine, methyl ester, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

wgk: 3
HS 번호: 29225000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-37/39-26
F 고인화성물질: 3-10-21
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도L-Threonine methyl ester is a protected form of L-Threonine (T405500). L-Threonine is an essential amino acid that is commonly used as a feed and food additive. L-Threonine is produced in mass quantities by mutant Escherichia coli strains for research and food nutrition purposes. L-Threonine can be naturally found in fish and poultry, and is incorporated in some important proteins in the human body (such as hemoglobin and insulin).