1-Boc-3,3-디메틸피페라진

1-Boc-3,3-dimethylpiperazine

HCID 22710387

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 259808-67-8
표준 SMILES: CC1(C)CN(C(=O)OC(C)(C)C)CCN1
InChIKey: LBAIYWWWORXVEQ-UHFFFAOYSA-N
분자식: C11H22N2O2
평균 분자량: 214.3 g/mol
단동위원소 질량: 214.16812794

이름 및 식별자

우선 이름: 1-Boc-3,3-dimethylpiperazine
IUPAC: tert-butyl 3,3-dimethylpiperazine-1-carboxylate
현지명: 1-Boc-3,3-디메틸피페라진
영어명: 1-Boc-3,3-dimethylpiperazine
분자식: C11H22N2O2
분자량: 214.3

이름 및 동의어

1-Boc-3,3-dimethylpiperazineRefChem:430068801-223-3259808-67-8tert-butyl 3,3-dimethylpiperazine-1-carboxylateMFCD073716511-PIPERAZINECARBOXYLIC ACID, 3,3-DIMETHYL-, 1,1-DIMETHYLETHYL ESTER1-Boc-3,3-dimethypiperazine3,3-DIMETHYLPIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERDTXSID40627679AKOS005264975CS-W008758

이름 더 보기

1-Boc-3,3-디메틸피페라진1096781-(tert-butoxycarbinyl)-3,3-dimethyl-piperazine 97%3,3-Dimethyl-1-piperazinecarboxylic acid tert-butyl ester3,3-dimethyl-1-Piperazinecarboxylic acid 1,1-dimethylethyl ester (9CI ACI)1-Piperazinecarboxylic acid, 3,3-dimethyl-, 1,1-dimethylethyl ester (9CI, ACI)

NCGC00374401-011-BOC-3,3-DIMETHYL-PIPERAZINEZ2551510583,3-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERBCP25802A5173FT-0650516SCHEMBL221595

데이터베이스 식별자

CAS: 259808-67-8
PubChem CID: 22710387
DTXSID: DTXSID40627679
EC Number: 801-223-3

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 243

물리화학적 성질

끓는 점: 275.1 · 275.1±15.0 °C(Predicted)
밀도: 0.977 · 0.977±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 8.58 · 8.58±0.40(Predicted)
InChI: InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13/h12H,6-8H2,1-5H3
InChIKey: LBAIYWWWORXVEQ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCNC(C)(C)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.