1-아세틸-4-(4-니트로페닐)피페라진

1-Acetyl-4-(4-nitrophenyl)piperazine

HCID 2865149CAS 16264-08-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIKey: QUZMCJMGHMRZHA-UHFFFAOYSA-N
분자식: C12H15N3O3
평균 분자량: 249.27 g/mol
단동위원소 질량: 249.11134134

이름 및 식별자

우선 이름: 1-Acetyl-4-(4-nitrophenyl)piperazine
IUPAC: 1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
현지명: 1-아세틸-4-(4-니트로페닐)피페라진
영어명: 1-Acetyl-4-(4-nitrophenyl)piperazine
분자식: C12H15N3O3
분자량: 249.27

이름 및 동의어

16264-08-71-Acetyl-4-(4-nitrophenyl)piperazineDTXSID303865411-acetyl-4-{4-nitrophenyl}piperazineRefChem:227309DTXCID80337563640-943-01-[4-(4-nitrophenyl)piperazin-1-yl]ethanone1-[4-(4-Nitrophenyl)piperazin-1-yl]ethan-1-one1-(4-(4-Nitrophenyl)piperazin-1-yl)ethanoneEthanone, 1-[4-(4-nitrophenyl)-1-piperazinyl]-MFCD00248261

이름 더 보기

1-아세틸-4-(4-니트로페닐)피페라진1-[4-(4-nitrophenyl)-1-piperazinyl]ethanoneEthanone,1-[4-(4-nitrophenyl)-1-piperazinyl]-1-Acetyl-4-(4-nitrophenyl)piperazine, 4-(4-Acetylpiperazin-1-yl)nitrobenzene

1-acetyl-4-(4-nitrophenyl) piperazine1-(4-(4-Nitrophenyl)piperazin-1-yl)ethan-1-onestarbld0016876Cambridge id 5728711Oprea1_6222041-[4-(4-Nitro-phenyl)-piperazin-1-yl]-ethanoneMLS000711772SCHEMBL2074819

데이터베이스 식별자

CAS: 16264-08-7
PubChem CID: 2865149
DTXSID: DTXSID30386541
ChEMBL: CHEMBL1504825
EC Number: 640-943-0

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 69.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 313

물리화학적 성질

녹는점: 150 · 150-151 °C
끓는 점: 476.6 · 476.6±40.0 °C(Predicted)
밀도: 1.272 · 1.272±0.06 g/cm3(Predicted)
물리적 상태: 고체
산도 계수 (pKa): 1.61 · 1.61±0.10(Predicted)
색상: 노란색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.