1-Methyl-1,4-dihydro-2,3-quinoxalinedione

HCID 600627CAS 20934-51-4

기본 정보

표준 SMILES: Cn1c(=O)c(=O)[nH]c2ccccc21
InChIKey: ZJDLDFIDSAFPFG-UHFFFAOYSA-N
분자식: C9H8N2O2
평균 분자량: 176.17 g/mol
단동위원소 질량: 176.0585775

이름 및 식별자

우선 이름: 1-Methyl-1,4-dihydro-2,3-quinoxalinedione
IUPAC: 4-methyl-1H-quinoxaline-2,3-dione
영어명: 2,3-Quinoxalinedione,1,4-dihydro-1-methyl-(6CI,7CI,9CI)
분자식: C9H8N2O2
분자량: 176.17

이름 및 동의어

20934-51-41-Methyl-1,4-dihydro-2,3-quinoxalinedioneDTXSID50344946RefChem:231437DTXCID802960201-Methylquinoxaline-2,3(1H,4H)-dione4-methyl-1H-quinoxaline-2,3-dione1-methyl-1,4-dihydroquinoxaline-2,3-dione2,3-Quinoxalinedione, 1,4-dihydro-1-methyl-MFCD11054015SCHEMBL6013602AT21275

이름 더 보기

4-methyl-1H-quinoxaline-2,3-quinone1,2,3,4-Tetrahydro-1-methyl-2,3-dioxoquinoxaline2,3-Quinoxalinedione,1,4-dihydro-1-methyl-(6CI,7CI,9CI)1-methyl-1,4-dihydro-2,3-quinoxalinedione(SALTDATA: FREE)

1,4-dihydro-1-methylquinoxalin-2,3-dione1-Methyl-1,4-dihydro-2,3-quinoxalinedione, AldrichCPRN-Methyl-1,4-dihydro-2,3-quinoxalinedioneSCHEMBL4706735SCHEMBL295801912,3-Quinoxalinedione, 1,4-dihydro-1-methyl- (6CI,7CI,9CI)ALBB-025407SBB017865

데이터베이스 식별자

CAS: 20934-51-4
PubChem CID: 600627
DTXSID: DTXSID50344946
EC Number: 107-197-3
Nikkaji: J1.410.212D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 49.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 252

물리화학적 성질

녹는점: 281 · 281-283 °C
밀도: 1.292 · 1.292±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10.23 · 10.23±0.20(Predicted)
물리적 상태: solid
InChI: 1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)10-8(12)9(11)13/h2-5H,1H3,(H,10,12)
InChIKey: ZJDLDFIDSAFPFG-UHFFFAOYSA-N
SMILES: O=C1N(C)C2=CC=CC=C2NC1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

ridadr: UN 2811 6.1 / PGIII
risk_code: 25
hazard_code: T
safety_code: 45
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects