1-BOC-2,6-디메틸피페라진

1-Boc-2,6-dimethylpiperazine

HCID 22219926

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 688363-66-8
표준 SMILES: CC1CNCC(C)N1C(=O)OC(C)(C)C
InChIKey: RBOGBIZGALIITO-UHFFFAOYSA-N
분자식: C11H22N2O2
평균 분자량: 214.3 g/mol
단동위원소 질량: 214.16812794

이름 및 식별자

우선 이름: 1-Boc-2,6-dimethylpiperazine
IUPAC: tert-butyl 2,6-dimethylpiperazine-1-carboxylate
현지명: 1-BOC-2,6-디메틸피페라진
영어명: 1-Boc-2,6-dimethyl-piperazine
분자식: C11H22N2O2
분자량: 214.3

이름 및 동의어

1-Boc-2,6-dimethylpiperazineRefChem:430062874-933-4688363-66-81-BOC-2,6-DIMETHYL-PIPERAZINEtert-butyl 2,6-dimethylpiperazine-1-carboxylateMFCD07371653trans-1-Boc-2,6-dimethyl-piperazine1575591-48-8(2S,6S)-1-Boc-2,6-dimethyl-piperazine1-PIPERAZINECARBOXYLIC ACID, 2,6-DIMETHYL-, 1,1-DIMETHYLETHYL ESTERSCHEMBL996020

이름 더 보기

1-BOC-2,6-디메틸피페라진1-Boc-2,6-diMethylpiperaz...tert-Butyl 2,6-dimethyl-1-piperazinecarboxylate1,1-Dimethylethyl 2,6-dimethyl-1-piperazinecarboxylate2,6-Dimethyl-1-piperazinecarboxylic acid tert-butyl ester2,6-Dimethyl-piperazine-1-carboxylic acid tert-butyl ester

SCHEMBL8827700DTXSID10623507RBOGBIZGALIITO-UHFFFAOYSA-Ncis-1-Boc-2,6-dimethyl-piperazineAKOS016004707CS-W021299PB25142PB26268

데이터베이스 식별자

CAS: 688363-66-8
PubChem CID: 22219926
DTXSID: DTXSID10623507
EC Number: 874-933-4

물성

구조 계산 물성

XLogP: 1.3
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: 225

물리화학적 성질

끓는 점: 279.7 · 279.7±15.0 °C(Predicted)
밀도: 0.97 · 0.970±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 8.53 · 8.53±0.60(Predicted)
InChI: InChI=1S/C11H22N2O2/c1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKey: RBOGBIZGALIITO-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)C(C)CNCC1C

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.