3,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido[2,1-c][1,4]oxazine-1,6-dione

HCID 68380174

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1402004-16-3
표준 SMILES: Cc1cn(-c2ccc3n(c2=O)CCOC3=O)cn1
InChIKey: OHSVUZLFGBAXDD-UHFFFAOYSA-N
분자식: C12H11N3O3
평균 분자량: 245.23 g/mol
단동위원소 질량: 245.08004122

이름 및 식별자

우선 이름: 3,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido[2,1-c][1,4]oxazine-1,6-dione
IUPAC: 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dione
영어명: 7-(4-methyl-1H-imidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dione
분자식: C12H11N3O3
분자량: 245.23

이름 및 동의어

1402004-16-33,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido(2,1-c)(1,4)oxazine-1,6-dione3,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido[2,1-c][1,4]oxazine-1,6-dioneRefChem:486199822-524-67-(4-Methyl-1H-imidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dione7-(4-Methyl-imidazol-1-yl)-3,4-dihydro-pyrido[2,1-c][1,4]oxazine-1,6-dionePyrido[2,1-c][1,4]oxazine-1,6-dione, 3,4-dihydro-7-(4-methyl-1H-imidazol-1-yl)-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dioneSCHEMBL12804512OHSVUZLFGBAXDD-UHFFFAOYSA-NDB-197343

이름 더 보기

EOS-60779

H61421

데이터베이스 식별자

CAS: 1402004-16-3
PubChem CID: 68380174
EC Number: 822-524-6

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 469

물리화학적 성질

끓는 점: 623.2 · 623.2±65.0 °C(Predicted)
밀도: 1.47 · 1.47±0.1 g/cm3(Predicted)
산도 계수 (pKa): 5.5 · 5.50±0.61(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.