4-히드록시-7-메틸-1,8-나프티리딘-3-카르복실산

4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid

HCID 5373672

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13250-97-0
표준 SMILES: Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1
InChIKey: WHJTTWIMQIGVJK-UHFFFAOYSA-N
분자식: C10H8N2O3
평균 분자량: 204.18 g/mol
단동위원소 질량: 204.05349212

이름 및 식별자

우선 이름: 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
IUPAC: 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
현지명: 4-히드록시-7-메틸-1,8-나프티리딘-3-카르복실산
영어명: 4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
분자식: C10H8N2O3
분자량: 204.18

이름 및 동의어

4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acidEINECS 236-235-2DTXSID60927709NSC 117329RefChem:523924DTXCID701356491236-235-213250-97-013317-11-84-Hydroxy-7-methyl-[1,8]naphthyridine-3-carboxylic acid1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

이름 더 보기

4-히드록시-7-메틸-1,8-나프티리딘-3-카르복실산1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID,4-HYDROXY-7-METHYL-4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid 97%

MFCD000067333-Carboxy-4-hydroxy-7-methyl-1,8-naphthyridine1,8-Naphthyridine-3-carboxylic acid, 4-hydroxy-7-methyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid7-methyl-4-oxo-8H-1,8-naphthyridine-3-carboxylic acid4-hydroxy-7-methylpyridino[2,3-b]pyridine-3-carboxylic acidEINECS 236-348-7NSC117329

데이터베이스 식별자

CAS: 13250-97-0、13317-11-8
PubChem CID: 5373672
DTXSID: DTXSID60927709
EC Number: 236-235-2、236-348-7
Nikkaji: J213.779H、J213.834D

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 79.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 338

물리화학적 성질

녹는점: 278 · 278-280 °C (decomp)
밀도: 1.487 · 1.487±0.06 g/cm3(Predicted)
산도 계수 (pKa): 1.02 · 1.02±0.30(Predicted)
물리적 상태: solid
끓는 점: 278 · 278-282°C
InChI: 1S/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChIKey: WHJTTWIMQIGVJK-UHFFFAOYSA-N
SMILES: Cc1ccc2c(O)c(cnc2n1)C(O)=O

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사2 곳

凯方医药科技有限公司—

SIGMAALDRICH—

화합물 노트

불러오는 중…