에틸7-메틸-4-옥소-1,8-나프티리딘-3-카르복실레이트

Ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

HCID 5373687

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13250-96-9
표준 SMILES: CCOC(=O)c1c[nH]c2nc(C)ccc2c1=O
InChIKey: KPXWNJGVBKCXKB-UHFFFAOYSA-N
분자식: C12H12N2O3
평균 분자량: 232.23 g/mol
단동위원소 질량: 232.08479224

이름 및 식별자

우선 이름: Ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
IUPAC: ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
현지명: 에틸7-메틸-4-옥소-1,8-나프티리딘-3-카르복실레이트
영어명: ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
분자식: C12H12N2O3
분자량: 232.24

이름 및 동의어

35482-56-5Ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylateEINECS 252-589-0RefChem:596032252-589-013250-96-9Ethyl 4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylateethyl 7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylateethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylateEINECS 236-234-7MFCD002347971,8-Naphthyridine-3-carboxylic acid, 4-hydroxy-7-methyl-, ethyl ester

이름 더 보기

에틸7-메틸-4-옥소-1,8-나프티리딘-3-카르복실레이트1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID,1,4-DIHYDRO-7-METHYL-4-OXO-,ETHYL ESTER

Nalidixic Acid EP Impurity BMLS000673271CHEMBL372420MFCD07798721SMR000314512Ethyl 4-hydroxy-7-methyl[1,8]naphthyridine-3-carboxylate7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid ethyl esterethyl 1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

데이터베이스 식별자

CAS: 13250-96-9、35482-56-5
PubChem CID: 5373687
DTXSID: DTXSID00927708
ChEMBL: CHEMBL372420
EC Number: 236-234-7、252-589-0
Nikkaji: J213.778J、J260.632A

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 68.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 365

물리화학적 성질

녹는점: 274 · 274-277 °C
끓는 점: 468.9 · 468.9±45.0 °C(Predicted)
밀도: 1.3 · 1.30±0.1 g/cm3(Predicted)
산도 계수 (pKa): 1.55 · 1.55±0.40(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)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.