1-Tert-butylpiperazine

HCID 3530572CAS 38216-72-7

기본 정보

표준 SMILES: CC(C)(C)N1CCNCC1
InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N
분자식: C8H18N2
평균 분자량: 142.24 g/mol
단동위원소 질량: 142.14699858

이름 및 식별자

우선 이름: 1-Tert-butylpiperazine
IUPAC: 1-tert-butylpiperazine
영어명: 1-tert-Butylpiperazine
분자식: C8H18N2
분자량: 142.24

이름 및 동의어

1-tert-butylpiperazine38216-72-7DTXSID90393372RefChem:235444DTXCID80344232630-932-9N-tert-Butylpiperazine1-(tert-Butyl)piperazineN-t-ButylpiperazineMFCD000493591-tert-butyl-piperazine1-T-butyl piperazine

이름 더 보기

1-T-BUTYLPIPERAZINE1-tert-Butylpiperazine,97%1-(tert-Butyl)piperazine 98+%1-(tert-Butyl)piperazine, tech1-(1,1-Dimethylethyl)piperazine2-Methyl-2-(piperazin-1-yl)propane

Piperazine, 1-(1,1-dimethylethyl)-tert-butylpiperazinetert-butyl piperazineN-t-butyl piperazine1-tert-butyl piperazine4-tert-butyl-piperazine1,1-dimethylethylpiperazineSCHEMBL104919

데이터베이스 식별자

CAS: 38216-72-7
PubChem CID: 3530572
DTXSID: DTXSID90393372
EC Number: 630-932-9

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 98

물리화학적 성질

녹는점: 32 · 32-35℃
끓는 점: 85 · 85-87℃/22mm
밀도: 0.89 · 0.890±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.27 · 9.27±0.10(Predicted)
물리적 상태: 저융점 고체
색상: 무색~황색
InChI: InChI=1S/C8H18N2/c1-8(2,3)10-6-4-9-5-7-10/h9H,4-7H2,1-3H3
InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N
SMILES: N1(C(C)(C)C)CCNCC1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H400 (97.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.