1-피페리딘카르복실산,4-HYDROXY-3,3-DIMETHYL-,1,1-DIMETHYLEETHYLESTER

tert-Butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate

HCID 53393265CAS 143306-65-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(O)C(C)(C)C1
InChIKey: QZMUVNRDYLNZDA-UHFFFAOYSA-N
분자식: C12H23NO3
평균 분자량: 229.32 g/mol
단동위원소 질량: 229.1677936

이름 및 식별자

우선 이름: tert-Butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
IUPAC: tert-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
현지명: 1-피페리딘카르복실산,4-HYDROXY-3,3-DIMETHYL-,1,1-DIMETHYLEETHYLESTER
영어명: 1-Piperidinecarboxylic acid, 4-hydroxy-3,3-dimethyl-, 1,1-dimethylethyl ester
분자식: C12H23NO3
분자량: 229.32

이름 및 동의어

143306-65-4TERT-BUTYL 4-HYDROXY-3,3-DIMETHYLPIPERIDINE-1-CARBOXYLATEDTXSID30693848RefChem:894061DTXCID30644597852-518-91-Boc-4-hydroxy-3,3-dimethylpiperidineMFCD119773434-Hydroxy-3,3-diMethyl-1-piperidinecarboxylic Acid 1,1-DiMethylethyl Ester1-Boc-3,3-dimethylpiperidin-4-ol1-Piperidinecarboxylic acid, 4-hydroxy-3,3-dimethyl-, 1,1-dimethylethyl esterSCHEMBL2777507

이름 더 보기

1-피페리딘카르복실산,4-HYDROXY-3,3-DIMETHYL-,1,1-DIMETHYLEETHYLESTER1-Piperidinecarboxylicacid, 4-hydroxy-3,3-dimethyl-, 1,1-dim...4-hydroxy-3,3-diMethyl-1-piperidinecarboxylic acid tert-butyl ester

QZMUVNRDYLNZDA-UHFFFAOYSA-NTFA30665AKOS015897865SB11750AS-34002SY042404CS-0048212EN300-206514

데이터베이스 식별자

CAS: 143306-65-4
PubChem CID: 53393265
DTXSID: DTXSID30693848
EC Number: 852-518-9

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 268

물리화학적 성질

끓는 점: 306.3 · 306.3±35.0 °C(Predicted)
밀도: 1.041 · 1.041±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 14.85 · 14.85±0.40(Predicted)
InChI: 1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13/h9,14H,6-8H2,1-5H3
InChIKey: QZMUVNRDYLNZDA-UHFFFAOYSA-N
SMILES: O=C(OC(C)(C)C)N1CC(C)(C)C(O)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

ridadr: UN2811
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도4-Hydroxy-3,3-dimethyl-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester is a useful synthetic intermediate. It can be used to prepare hydroxyquinoxalinecarboxamides for treatment of blood coagulation disorders.

공급사37 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Compound Net Biotechnology Inc.15266686121 · [email protected]

연결된 노트

불러오는 중…