1-tert-부틸3-에틸피페라진-1,3-디카르복실레이트

1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate

HCID 11402671CAS 183742-29-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCN1
InChIKey: IQKOVLZJPVVLOZ-UHFFFAOYSA-N
분자식: C12H22N2O4
평균 분자량: 258.31 g/mol
단동위원소 질량: 258.15795718

이름 및 식별자

우선 이름: 1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate
IUPAC: 1-O-tert-butyl 3-O-ethyl piperazine-1,3-dicarboxylate
현지명: 1-tert-부틸3-에틸피페라진-1,3-디카르복실레이트
영어명: 1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate
분자식: C12H22N2O4
분자량: 258.31

이름 및 동의어

1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate183742-29-2DTXSID10464811RefChem:235337DTXCID00415630821-095-2MFCD131722661-O-tert-butyl 3-O-ethyl piperazine-1,3-dicarboxylate1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester1-tert-Butyl3-ethylpiperazine-1,3-dicarboxylateSCHEMBL337013CHEMBL197736

이름 더 보기

1-tert-부틸3-에틸피페라진-1,3-디카르복실레이트piperazine-1,3-dicarboxylateEthyl1-Boc-piperazine-3-carboxylate,97%1-tert-butoxycarbonyl-3-ethoxycarbonylpiEthyl 1-Boc-piperazine-3-carboxylate, 97%1-Boc-3-piperazinecarboxylic acid ethyl ester1-tert-butoxycarbonyl-3-ethoxycarbonylpiperazine1-(tert-butyloxycarbonyl)-3-ethoxycarbonyl-piperazine1-(1,1-dimethylethyl)-3-ethyl 1,3-piperazinedicarboxylate

IQKOVLZJPVVLOZ-UHFFFAOYSA-N1-tert-Butoxycarbonylpiperazine-3-carboxylic acid ethyl esterALBB-037546IHA74229Ethyl 4-Boc-piperazine-2-carboxylateAKOS016008930AB92394AS-47033

데이터베이스 식별자

CAS: 183742-29-2
PubChem CID: 11402671
DTXSID: DTXSID10464811
ChEMBL: CHEMBL197736
EC Number: 821-095-2

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 67.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 312

물리화학적 성질

끓는 점: 337 · 337.0±37.0 °C(Predicted)
밀도: 1.099 · 1.099±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 6.57 · 6.57±0.40(Predicted)

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.