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L-에티오닌

DL-Ethionine

HCID 6205
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
13073-35-3
표준 SMILES
CCSCCC(N)C(=O)O
InChIKey
GGLZPLKKBSSKCX-UHFFFAOYSA-N
분자식
C6H13NO2S
평균 분자량
163.24 g/mol
단동위원소 질량
163.06669983

개요

Dl-ethionine is a white crystalline flakes. (NTP, 1992)

이름 및 식별자

우선 이름
DL-Ethionine
IUPAC
2-amino-4-ethylsulfanylbutanoic acid
현지명
L-에티오닌
영어명
L-Ethionine
분자식
C6H13NO2S
분자량
163.24

이름 및 동의어

DL-ETHIONINE67-21-0AethioninEthionine, DL-2-Amino-4-(ethylthio)butyric acidDL-2-Amino-4-(ethylthio)butyric acid(+-)-EthionineCN 8676U-1434Butyric acid, 2-amino-4-(ethylthio)-, DL-NSC 75192AK1Y27MZ
이름 더 보기
L-에티오닌S-ethyl-L-homocysteineH-ETH-OHNsc82393L-Ethioninel-butyricaciL-Ethionine>L-ETHIONINE 98+%L -ETHIONINE 99%s-ethyl-homocysteinL-Ethionine
NSC-751DTXSID0020579CN-8676RefChem:1083899DTXCID60579CHEBI:68664200-647-0S-ethylhomocysteine

데이터베이스 식별자

CAS
13073-35-3、535-32-0、67-21-0
PubChem CID
6205
DTXSID
DTXSID0020579
ChEMBL
CHEMBL1998607
ChEBI
CHEBI:68662
UNII
92AK1Y27MZ
EC Number
200-647-0
Nikkaji
J2.280B

물성

구조 계산 물성

XLogP
-1.5
극성 표면적
88.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
10
형식 전하
0
복잡도
108

실험 및 물리화학적 성질

Solubility1 to 5 mg/mL at 64 °F (NTP, 1992)
Melting Point516 to 523 °F (decomposes) (NTP, 1992)
Physical DescriptionDl-ethionine is a white crystalline flakes. (NTP, 1992)

물리화학적 성질

녹는점
280 °C · 280 °C (dec.)(lit.)
밀도
1.085 · 1.085 (estimate)
굴절률
22 ° · 22 ° (C=1, 1mol/L HCl)
저장 조건
2 · Keep in dark place,Sealed in dry,2-8°C
용해도
산성 수용액(약간), 물(약간) 에 용해됨
물리적 상태
고체
끓는 점
310.4 · 310.4±37.0 °C(Predicted)
산도 계수 (pKa)
2.23 · 2.23±0.10(Predicted)
색상
흰색에서 황백색까지
Merck
14 · 14,3738
InChI
1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey
GGLZPLKKBSSKCX-YFKPBYRVSA-N
SMILES
CCSCC[C@H](N)C(O)=O
EPA
L-Ethionine (13073-35-3)

화학적 성질

White Solid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H315 (93.1%): 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 72 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: DL-Homocysteine, S-ethyl-
Other Safety InformationIMAP assessments - DL-Homocysteine, S-ethyl-: Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of NOx and SOx. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Reactivity ProfileA synthetic thio-substituted amino acid.
Air and Water ReactionsSlightly soluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (93.1%)

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
ES6825300
독성
rat,LD,intraperitoneal,> 1gm/kg (1000mg/kg),LIVER: OTHER CHANGESLIVER: CHANGES IN LIVER WEIGHT,Acta Pathologica Japonica. Vol. 39, Pg. 281, 1989.
HS 번호
2930.90.4950
risk_code
36/37/38
hazard_code
Xi
safety_code
26
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
13073-35-3(Hazardous Substances Data)

화학 및 산업

용도 및 제조

General Manufacturing InformationHomocysteine, S-ethyl-: INACTIVE

응용 분야

용도Ethionine-induced inhibition of protein synthesis and lowering of ATP level in the liver.

상·하류 제품 정보

상류 원료

N-아세틸-DL-에티오닌S-3,6-bis(2-chloroethyl)piperazine-2,5-dioneN-포르밀-DL-에티오닌O-Acetyl-L-homoserine hydrochlorideDL-EthionineNsc164657에틸메르캅탄요오드화에틸

하류 제품

2-Oxopentanoic acid

공급사67 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
斯百全化学(上海)有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
南京德尔诺医药科技有限公司02585057128;025-86957866 13952093866 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
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青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司18916372613 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]

추가 설명

정의ChEBI: An S-ethylhomocysteine that has S-configuration at the chiral centre.

관련 반응

2건
반응 기록 만들기
HRID 973241 반응식
HRID 973241생성물로uspto-grants-1977_10
HRID 2158548 반응식
HRID 2158548생성물로Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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