1-(TERT-부톡시카르보닐)-3,3-디메틸-4-옥소피페리딘

tert-Butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate

HCID 22278899CAS 324769-06-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(C)(C)C1
InChIKey: MXCAGVCUIHYAGH-UHFFFAOYSA-N
분자식: C12H21NO3
평균 분자량: 227.3 g/mol
단동위원소 질량: 227.15214353

이름 및 식별자

우선 이름: tert-Butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
IUPAC: tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
현지명: 1-(TERT-부톡시카르보닐)-3,3-디메틸-4-옥소피페리딘
영어명: 1-(tert-Butoxycarbonyl)-3,3-dimethyl-4-oxopiperidine
분자식: C12H21NO3
분자량: 227.3

이름 및 동의어

324769-06-4tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylateDTXSID40624244RefChem:383269DTXCID00574998815-564-01-(TERT-BUTOXYCARBONYL)-3,3-DIMETHYL-4-OXOPIPERIDINEN-Boc-3,3-dimethyl-4-piperidoneMFCD09880282tert-Butyl 3,3-dimethyl-4-oxo-piperidine-1-carboxylate3,3-Dimethyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester1,1-dimethylethyl 3,3-dimethyl-4-oxo-1-piperidinecarboxylate

이름 더 보기

1-(TERT-부톡시카르보닐)-3,3-디메틸-4-옥소피페리딘EOS-608071-boc-3,3-dimethyl4-piperidine1-BOC-3,3-dimethyl-4-oxopiperidineN-BOC-3,3-dimethyl-4-oxopiperidine3,3-Dimethylpiperidin-4-one, N-BOC protectedtert-butyl 3,3-diMethyl-4-oxopiperidine-1-carb1-tert-Butoxycarbonyl-3,3-dimethyl-4-piperidone

SCHEMBL517374MXCAGVCUIHYAGH-UHFFFAOYSA-N3,3-Dimethyl-4-oxo-1-piperidinecarboxylic acid tert-butyl esterCS-B13071-Boc-3,3-dimethylpiperidin-4-oneAKOS015841225PB328121-(Boc)-3,3-Dimethyl-4-oxopiperidine

데이터베이스 식별자

CAS: 324769-06-4
PubChem CID: 22278899
DTXSID: DTXSID40624244
EC Number: 815-564-0

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 302

물리화학적 성질

끓는 점: 303 ℃ · 303℃
밀도: 1.035 · 1.035
인화점: 137 ℃ · 137℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -1.51 · -1.51±0.40(Predicted)
물리적 상태: 고체
색상: 오프 화이트
InChI: InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13/h6-8H2,1-5H3
InChIKey: MXCAGVCUIHYAGH-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(=O)C(C)(C)C1