1-Boc-4-에티닐피페리딘

tert-Butyl 4-ethynylpiperidine-1-carboxylate

HCID 15550481

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 287192-97-6
표준 SMILES: C#CC1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: INUWDZDWSJJFSQ-UHFFFAOYSA-N
분자식: C12H19NO2
평균 분자량: 209.28 g/mol
단동위원소 질량: 209.14157885

이름 및 식별자

우선 이름: tert-Butyl 4-ethynylpiperidine-1-carboxylate
IUPAC: tert-butyl 4-ethynylpiperidine-1-carboxylate
현지명: 1-Boc-4-에티닐피페리딘
영어명: 1-Boc-4-ethynylpiperidine
분자식: C12H19NO2
분자량: 209.28

이름 및 동의어

287192-97-6tert-butyl 4-ethynylpiperidine-1-carboxylateDTXSID90573995RefChem:383608DTXCID10524767800-751-11-Boc-4-ethynylpiperidineMFCD09038026N-Boc-4-ethynylpiperidine4-Ethynylpiperidine-1-carboxylic acid tert-butyl ester1-PIPERIDINECARBOXYLIC ACID, 4-ETHYNYL-, 1,1-DIMETHYLETHYL ESTERSCHEMBL427670

이름 더 보기

1-Boc-4-에티닐피페리딘1-Boc-4-ethynylpiperidinert-butyl4-ethynylpiperidine-1-carboxylateTert-butyl4-ethynylpiperidin-1-carboxylatetert-butyl 4-ethynyl-1-piperidinecarboxylate4-Ethynylpiperidine-1-carboxylic acid tert-butyl ester - [E0461]

AKOS0158361994-ethynyl-piperidine-1-carboxylic acid tert-butyl esterSY033621tert-butyl 4-ethynyl-piperidine-1-carboxylate1-Boc-4-ethynyl-piperidineN-BOC4-ethynylpiperidinA5423N-BOC-4-ethynylpiperidin

데이터베이스 식별자

CAS: 287192-97-6
PubChem CID: 15550481
DTXSID: DTXSID90573995
EC Number: 800-751-1
Nikkaji: J2.282.164D

물성

구조 계산 물성

XLogP: 2
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 274

물리화학적 성질

끓는 점: 269.6 · 269.6±29.0 °C(Predicted)
밀도: 1.02 · 1.02±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -2.2 · -2.20±0.40(Predicted)
InChI: InChI=1S/C12H19NO2/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey: INUWDZDWSJJFSQ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(C#C)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.