1-(Benzenesulfonyl)piperazine

HCID 808712CAS 14172-55-5

기본 정보

표준 SMILES: O=S(=O)(c1ccccc1)N1CCNCC1
InChIKey: NANQJUFFKXWVJR-UHFFFAOYSA-N
분자식: C10H14N2O2S
평균 분자량: 226.3 g/mol
단동위원소 질량: 226.07759887

이름 및 식별자

우선 이름: 1-(Benzenesulfonyl)piperazine
IUPAC: 1-(benzenesulfonyl)piperazine
영어명: 1-Benzenesulfonyl-piperazine
분자식: C10H14N2O2S
분자량: 226.3

이름 및 동의어

1-(benzenesulfonyl)piperazineRefChem:427081675-198-01-(phenylsulfonyl)piperazine14172-55-51-Benzenesulfonyl-piperazinePiperazine, 1-(phenylsulfonyl)-1-Benzenesulfonylpiperazine1-Phenylsulfonyl-piperazine1-benzenesulfonyl piperazineMFCD021828041-(phenylsulphonyl)piperazine

이름 더 보기

AKOS B003962AKOS MSC-0756AKOS BBS-00003688IFLAB-BB F1986-0009CHEMBRDG-BB 3003962ART-CHEM-BB B003962TIMTEC-BB SBB009226SALOR-INT L204471-1EA

1-Phenyl sulfonyl piperazine(phenylsulfonyl)piperazineF1986-0009Piperazine,1-(phenylsulfonyl)-Enamine_004678benzenesulfonyl piperazine4-Phenylsulfonylpiperazine4-benzenesulfonylpiperazine

데이터베이스 식별자

CAS: 14172-55-5
PubChem CID: 808712
DTXSID: DTXSID00355603
ChEMBL: CHEMBL1877230
EC Number: 675-198-0

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 57.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 285

실험 및 물리화학적 성질

Solubility26.6 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 111 · 111-112°C
끓는 점: 377.4 · 377.4±52.0 °C(Predicted)
밀도: 1.251 · 1.251±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 7.86 · 7.86±0.10(Predicted)

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)