CAS 479630-08-5 tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate (HCID 6618868)

기본 정보

CAS: 479630-08-5
표준 SMILES: CCOC(=O)CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: CWTULLANCDLMGK-UHFFFAOYSA-N
분자식: C15H25NO5
평균 분자량: 299.36 g/mol
단동위원소 질량: 299.1732729

이름 및 식별자

우선 이름: tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
현지명: 4-(2-에톡시카보닐-아세틸)-피페리딘-1-카복실산tert-부틸에스테르
영어명: 4-(2-ETHOXYCARBONYL-ACETYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
분자식: C15H25NO5
분자량: 299.36

이름 및 동의어

479630-08-5tert-butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylateDTXSID40425071RefChem:383490DTXCID80375905959-982-21-Boc-4-(2-Ethoxycarbonyl-acetyl)piperidine4-(2-Ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid tert-butyl esterMFCD04115569Ethyl 3-Oxo-3-(1-Boc-4-piperidyl)propanoateN-BOC-4-(2-ETHOXYCARBONYL-ACETYL)-PIPERIDINESCHEMBL583783

이름 더 보기

4-(2-에톡시카보닐-아세틸)-피페리딘-1-카복실산tert-부틸에스테르4-Piperidinepropanoic aci...1-Boc-4-(2-Ethoxycarbonyl-acetyl)4-(3-Ethoxy-3-oxopropanoyl)piperidineBOC-4-(3-ETHOXY-3-OXOPROPAN OYL)PIPERIDINE1-Boc-b-oxo-4-piperidinepropanoic acid ethyl ester4-(3-Ethoxy-3-oxopropanoyl)piperidine, N-BOC protected

TERT-BUTYL 4-(3-ETHOXY-3-OXOPROPANOYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATECS-W005286SY0196344-(2-Ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid tert butyl esterChemDiv2_002911N-Boc-4-(2-EthoxyCWTULLANCDLMGK-UHFFFAOYSA-NHMS1377E07

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 72.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 21
형식 전하: 0
복잡도: 391

물리화학적 성질

끓는 점: 386.1 · 386.1±32.0 °C(Predicted)
밀도: 1.113 · 1.113±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.39 · 10.39±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.