1-Boc-2,5-디메틸-피페라진

tert-Butyl 2,5-dimethylpiperazine-1-carboxylate

HCID 22625934

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 643041-20-7
표준 SMILES: CC1CN(C(=O)OC(C)(C)C)C(C)CN1
InChIKey: PGZCVLUQTJRRAA-UHFFFAOYSA-N
분자식: C11H22N2O2
평균 분자량: 214.3 g/mol
단동위원소 질량: 214.16812795

이름 및 식별자

우선 이름: tert-Butyl 2,5-dimethylpiperazine-1-carboxylate
IUPAC: tert-butyl 2,5-dimethylpiperazine-1-carboxylate
현지명: 1-Boc-2,5-디메틸-피페라진
영어명: 1-Boc-2,5-diMethyl-piperazine
분자식: C11H22N2O2
분자량: 214.30458

이름 및 동의어

tert-Butyl 2,5-dimethylpiperazine-1-carboxylate643041-20-7DTXSID70627066RefChem:383133DTXCID10577819858-986-01-Boc-2,5-diMethyl-piperazineMFCD127615751-boc-2,5-dimethylpiperazine(2R,5R)-1-Boc-2,5-dimethyl-piperazine(2S,5S)-1-Boc-2,5-dimethyl-piperazine(2R,5S)-2,5-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

이름 더 보기

1-Boc-2,5-디메틸-피페라진1-tert-Butoxycarbonyl-2,5-dimethylpiperazine1-tert-butyloxycarbonyl-2,5-dimethylpiperazine

1-Piperazinecarboxylic acid, 2,5-dimethyl-, 1,1-dimethylethyl ester(2R,5S)-1-Boc-2,5-dimethyl-piperazinetert-Butyl2,5-dimethylpiperazine-1-carboxylate2,5-dimethyl-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL104259(2S,5S)-2,5-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERCHEMBL49985121-Piperazinecarboxylic acid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2R,5R)-rel-

데이터베이스 식별자

CAS: 643041-20-7
PubChem CID: 22625934
DTXSID: DTXSID70627066
ChEMBL: CHEMBL4998512
EC Number: 858-986-0

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: 235

물리화학적 성질

저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.