3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-카르복실산에틸에스테르

Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

HCID 31090CAS 22244-22-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C1CNc2ccccc2O1
InChIKey: FGYXHLIMQKWPIL-UHFFFAOYSA-N
분자식: C11H13NO3
평균 분자량: 207.23 g/mol
단동위원소 질량: 207.08954328

이름 및 식별자

우선 이름: Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
IUPAC: ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
현지명: 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-카르복실산에틸에스테르
영어명: 3,4-Dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid ethyl ester
분자식: C11H13NO3
분자량: 207.23

이름 및 동의어

22244-22-0ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylateDTXSID40944898RefChem:1084829DTXCID801373228ETHYL 3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-2-CARBOXYLATEMFCD01663859ethyl benzomorpholine-2-carboxylateCHEMBL4868317BRN 09908553,4-Dihydro-2H-1,4-benzoxazine-2-carboxylic acid ethyl ester2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID, 3,4-DIHYDRO-, ETHYL ESTER

이름 더 보기

3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-카르복실산에틸에스테르Ethyl 3,4-dihydro-2H-benzo-1,4-oxazine-2-carboxylate4-benzoxazine-2-carboxylicacid,3,4-dihydro-2h-ethylester3,4-dihydro-2h-1,4-benzoxazine-2-carboxylicacidethylester3,4-Dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid ethyl ester

SCHEMBL924887FGYXHLIMQKWPIL-UHFFFAOYSA-NAR3125BDBM50576034SBB093861STK909181AKOS002199221AKOS016305636

데이터베이스 식별자

CAS: 22244-22-0
PubChem CID: 31090
DTXSID: DTXSID40944898
ChEMBL: CHEMBL4868317
EC Number: 187-360-3
Nikkaji: J1.650.880B

물성

구조 계산 물성

XLogP: 2
극성 표면적: 47.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 232

물리화학적 성질

끓는 점: 131 · 131-133 °C
밀도: 1.167 · 1.167±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 3.22 · 3.22±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, 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.