TERT-부틸(4S)-1-메틸-2-옥소이미다졸리딘-4-카르복실레이트

tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate

HCID 13053976
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기본 정보

CAS
83056-79-5
표준 SMILES
CN1C[C@@H](C(=O)OC(C)(C)C)NC1=O
InChIKey
JHSLVEQWBDYFQN-LURJTMIESA-N
분자식
C9H16N2O3
평균 분자량
200.23 g/mol
단동위원소 질량
200.11609238

이름 및 식별자

우선 이름
tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
IUPAC
tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
현지명
TERT-부틸(4S)-1-메틸-2-옥소이미다졸리딘-4-카르복실레이트
영어명
tert-Butyl(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
분자식
C9H16N2O3
분자량
200.24

이름 및 동의어

83056-79-5(S)-tert-Butyl 1-methyl-2-oxoimidazolidine-4-carboxylatetert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylateMFCD09952527(4S)-1-Methyl-2-oxo-4-imidazolidinecarboxylic Acid, tert-Butyl Estertert-butyl (S)-1-methyl-2-oxoimidazolidine-4-carboxylate4-Imidazolidinecarboxylic acid, 1-methyl-2-oxo-, 1,1-dimethylethyl ester, (4S)-JHSLVEQWBDYFQN-LURJTMIESA-NSCHEMBL5364081(S)-tert-Butyl1-methyl-2-oxoimidazolidine-4-carboxylateDTXSID00516590tert-butyl (4S)-1-methyl-2-oxo-imidazolidine-4-carboxylate
이름 더 보기
TERT-부틸(4S)-1-메틸-2-옥소이미다졸리딘-4-카르복실레이트(4S)-1-Methyl-2-oxo-Imidapril intermediateColesevelam Impurity 10(4S)-1-Methyl-2-oxo-IMidazolidine-TERT-BUTYL(4S)-1-METHYL-2-OXOIMIDAZOLIDI...ERT-BUTYL(4S)-1-METHYL-2-OXOIMIDAZOLIDINE-4-CARt-butyl(S)-1-methyl-2-oxoimidazolidine-4-carboxylate-tert-Butyl 1-methyl-2-oxoimidazolidine-4-carboxylate(S)-(-)-1-Methyl-2-oxoimidazolidine-4-carboxylicacidtert
AKOS015918395CS-W021185AC-25862DS-17498SY114591DB-224863F12031F224191

데이터베이스 식별자

CAS
83056-79-5
PubChem CID
13053976
DTXSID
DTXSID00516590
EC Number
806-448-0
Nikkaji
J1.196.642J

물성

구조 계산 물성

XLogP
0.3
극성 표면적
58.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
14

물리화학적 성질

끓는 점
347.4 · 347.4±31.0 °C(Predicted)
밀도
1.115 · 1.115±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름, 디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
산도 계수 (pKa)
12.43 · 12.43±0.40(Predicted)
물리적 상태
고체

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도An intermediate in the preparation of Imidaprilat

상·하류 제품 정보

공급사75 곳

Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海瑞上医药科技有限公司+86-021-54326183-8001 +86-18917565227 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

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