3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde

HCID 21873737

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 443956-11-4
표준 SMILES: O=Cc1ccc2c(n1)NC(=O)CO2
InChIKey: XOXXGNIBXYQQNS-UHFFFAOYSA-N
분자식: C8H6N2O3
평균 분자량: 178.14 g/mol

이름 및 식별자

우선 이름: 3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
IUPAC: 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
영어명: 3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
분자식: C8H6N2O3
분자량: 178.14

이름 및 동의어

443956-11-43-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehydeMFCD155267453-Oxo-3,4-dihydro-2H-pyrido-[3,2-b][1,4]oxazine-6-carbaldehyde2H-Pyrido[3,2-b]-1,4-oxazine-6-carboxaldehyde, 3,4-dihydro-3-oxo-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde3-oxo-3,4-dihydro-2H-pyrido(3,2-b)(1,4)oxazine-6-carbaldehydeSCHEMBL620088XOXXGNIBXYQQNS-UHFFFAOYSA-N3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde3,4-dihydro-3-oxo-2H-Pyrido[3,2-b]-1,4-oxazine-6-carboxaldehydeAKOS022177748

이름 더 보기

SY238056CS-0131388G63643F6081563-oxo-3,4-dihydro-2H-pyrido[1,4]oxazine-6-carboxaldehyde3-Oxo-3,4-dihydro-2H -pyrido[3,2-b ][1,4]oxazine-6-carbaldehyde3-oxo-3,4-dihydro-2h pyrido[3,2,b][1,4]oxazine-6-carbaldehyde3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carb aldehyde

데이터베이스 식별자

CAS: 443956-11-4
PubChem CID: 21873737
EC Number: 810-324-1
Nikkaji: J2.877.112F

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 68.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 231

물리화학적 성질

녹는점: 208 · 208-211 °C
끓는 점: 425.5 · 425.5±45.0 °C(Predicted)
밀도: 1.428 · 1.428±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 10.56 · 10.56±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 18 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.