피페라진,1-시클로부틸-

1-Cyclobutylpiperazine

HCID 4738602CAS 132800-13-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C1CC(N2CCNCC2)C1
InChIKey: WJJKCJYVIICABH-UHFFFAOYSA-N
분자식: C8H16N2
평균 분자량: 140.23 g/mol
단동위원소 질량: 140.13134852

이름 및 식별자

우선 이름: 1-Cyclobutylpiperazine
IUPAC: 1-cyclobutylpiperazine
현지명: 피페라진,1-시클로부틸-
영어명: Piperazine, 1-cyclobutyl-
분자식: C8H16N2
분자량: 140.23

이름 및 동의어

1-cyclobutylpiperazine132800-13-6DTXSID101314512RefChem:75476DTXCID501460585842-518-71-Cyclobutyl-piperazinePiperazine, 1-cyclobutyl-MFCD062548061-(Cyclobutyl)piperazineSCHEMBL64201SCHEMBL193442

이름 더 보기

피페라진,1-시클로부틸-N-cyc-Bu-piperazine1-Cyclobutylpiperazine 132800-13-6

SCHEMBL1481868SCHEMBL27468489SCHEMBL27638708SCHEMBL28903035WJJKCJYVIICABH-UHFFFAOYSA-NALBB-035339HFA80013AKOS003587303

데이터베이스 식별자

CAS: 132800-13-6
PubChem CID: 4738602
DTXSID: DTXSID101314512
EC Number: 842-518-7
Nikkaji: J3.052.829H

물성

구조 계산 물성

XLogP: 0.5
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: 104

물리화학적 성질

끓는 점: 217 ℃ · 217℃
밀도: 1.014 · 1.014
인화점: 92 ℃ · 92℃
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 9.28 · 9.28±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.