CAS 335030-30-3 tert-butyl 7-bromo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-4-carboxylate (HCID 22139026)

기본 정보

CAS: 335030-30-3
표준 SMILES: CC(C)(C)OC(=O)N1CCOc2cc(Br)cnc21
InChIKey: RIQLATNMUITFBX-UHFFFAOYSA-N
분자식: C12H15BrN2O3
평균 분자량: 315.16 g/mol

이름 및 식별자

우선 이름: tert-butyl 7-bromo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-4-carboxylate
IUPAC: tert-butyl 7-bromo-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
영어명: 4H-Pyrido[3,2-b]-1,4-oxazine-4-carboxylic acid, 7-bromo-2,3-dihydro-, 1,1-dimethylethyl ester
분자식: C12H15BrN2O3
분자량: 315.16

이름 및 동의어

335030-30-3MFCD21332869tert-butyl 7-bromo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-4-carboxylateTert-butyl 7-bromo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazine-4-carboxylateSCHEMBL1093600RIQLATNMUITFBX-UHFFFAOYSA-NSY455724DB-174059EN300-124470674-Boc-7-bromo-2,3-dihydro-pyrido[3,2-b][1,4]oxazine7-Bromo-4-Boc-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine4-(tert-butoxycarbonyl)-7-bromo-3,4-dihydro-2H-pyrido[3,2-b]-1,4oxazine

이름 더 보기

tert-butyl7-bromo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazine-4-carboxylate4H-Pyrido[3,2-b]-1,4-oxazine-4-carboxylic acid, 7-bromo-2,3-dihydro-, 1,1-dimethylethyl ester

4-(tert-Butoxycarbonyl)-7-bromo-3,4-dihydro-2H-pyrido[3,2-b]1,4-oxazine4-(tert-butoxycarbonyl)-7-bromo-3,4-dihydro-2H-pyrido[3,2-b]-1,4-oxazine7-Bromo-2,3-dihydro-pyrido[3,2-b][1,4]oxazine-4-carboxylic acid tert-butyl ester

데이터베이스 식별자

CAS: 335030-30-3
PubChem CID: 22139026
EC Number: 179-709-3

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 51.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 319

물리화학적 성질

끓는 점: 388 · 388.0±42.0 °C(Predicted)
밀도: 1.466 · 1.466±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.24 · 3.24±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.