1-BOC-3-메틸-피페리딘-4-온

tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate

HCID 22644642

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 181269-69-2
표준 SMILES: CC1CN(C(=O)OC(C)(C)C)CCC1=O
InChIKey: VWSBNWIPICCWAM-UHFFFAOYSA-N
분자식: C11H19NO3
평균 분자량: 213.27 g/mol
단동위원소 질량: 213.13649347

이름 및 식별자

우선 이름: tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate
IUPAC: tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate
현지명: 1-BOC-3-메틸-피페리딘-4-온
영어명: 1-Boc-3-methyl-piperidin-4-one
분자식: C11H19NO3
분자량: 213.27

이름 및 동의어

181269-69-2tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylateDTXSID80939420RefChem:893408DTXCID301367917819-494-1N-Boc-3-Methyl-4-piperidone1-BOC-3-METHYL-4-PIPERIDONE1-Piperidinecarboxylic acid, 3-methyl-4-oxo-, 1,1-dimethylethyl esterMFCD084609621-Boc-3-methyl-piperidin-4-one(R,S)-tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate

이름 더 보기

1-BOC-3-메틸-피페리딘-4-온TERT-BUTYL 3-METHYL-4-N-BOC-3-Methyl-4-oxopiperidine1-Boc-4-oxo-3-methyl-piperidine

N-TERT-BUTOXYCARBONYL-3-METHYL-4-PIPERIDONETERT-BUTYL 3-METHYL-4-OXO-1-PIPERIDINECARBOXYLATE1-Piperidinecarboxylic acid, 3-methyl-4-oxo-, 1,1-dimethylethyl ester, (3R)-3-methyl-4-oxo-piperidine-1-carboxylic acid tert-butyl estertert-butyl 3-methyl-4-oxo-piperidine-1-carboxylateSCHEMBL104498VWSBNWIPICCWAM-UHFFFAOYSA-NCS-D0047

데이터베이스 식별자

CAS: 181269-69-2
PubChem CID: 22644642
DTXSID: DTXSID80939420
EC Number: 819-494-1

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 267

물리화학적 성질

녹는점: 45 ° · 45°
끓는 점: 298.8 · 298.8±33.0 °C(Predicted)
밀도: 1.06 · 1.060
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): -1.54 · -1.54±0.40(Predicted)
물리적 상태: 고체
색상: 회백색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

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