2-메틸-3-아미노-4-퀴나졸론

3-amino-2-methylquinazolin-4(3H)-one

HCID 237591

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1898-06-2
표준 SMILES: Cc1nc2ccccc2c(=O)n1N
InChIKey: IQOUPYQSZBDNAW-UHFFFAOYSA-N
분자식: C9H9N3O
평균 분자량: 175.19 g/mol
단동위원소 질량: 175.07456192

이름 및 식별자

우선 이름: 3-amino-2-methylquinazolin-4(3H)-one
IUPAC: 3-amino-2-methylquinazolin-4-one
현지명: 2-메틸-3-아미노-4-퀴나졸론
영어명: 2-Methyl-3-amino-4-quinazolone
분자식: C9H9N3O
분자량: 175.19

이름 및 동의어

3-amino-2-methylquinazolin-4(3H)-oneDTXSID10285285RefChem:1067297DTXCID302364361898-06-22-Methyl-3-amino-4-quinazolone3-amino-2-methylquinazolin-4-one3-amino-2-methyl-3,4-dihydroquinazolin-4-one4(3H)-Quinazolinone, 3-amino-2-methyl-3-Amino-2-methyl-4(3H)quinazolinoneMFCD001142533-Amino-2-methyl-4(3H)-quinazolinone

이름 더 보기

2-메틸-3-아미노-4-퀴나졸론NSC 41279NSC 525988AKOS B028736AKOS AU36-M15Oprea1_244232ASISCHEM W61338IFLAB-BB F0307-06823-Amino-2-methyl-4(3H<

MLS000056931CHEMBL11631523-Amino-2-methyl-4-quinazoloneSMR0000663833-amino-2-methyl-3-hydroquinazolin-4-oneSR-01000388914NSC41279Opera_ID_585

데이터베이스 식별자

CAS: 1898-06-2
PubChem CID: 237591
DTXSID: DTXSID10285285
ChEMBL: CHEMBL1163152
EC Number: 624-564-8
Nikkaji: J722.368D

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 58.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 262

물리화학적 성질

녹는점: 149 · 149-152 °C(lit.)
끓는 점: 348.1 · 348.1±25.0 °C(Predicted)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): -0.13 · -0.13±0.70(Predicted)
물리적 상태: solid
InChI: 1S/C9H9N3O/c1-6-11-8-5-3-2-4-7(8)9(13)12(6)10/h2-5H,10H2,1H3
InChIKey: IQOUPYQSZBDNAW-UHFFFAOYSA-N
SMILES: CC1=Nc2ccccc2C(=O)N1N

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 (97.6%): 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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

안전 데이터

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

화학 및 산업

응용 분야 · 2건

용도3-Amino-2-methyl-4(3H)quinazolinone may be used to synthesize:2-methyl-3-[3′-aminophthalimido]-4(3H)-quinazolinone2-alkyl-3-(methylamino)-4(3H)-quinazolinone3-amino-2-chloromethyl-4(3H)-quinazolinone

일반 설명3-Amino-2-methyl-4(3H)quinazolinone is a quinazoline derivative. 2-Methyl-3,1-benzoxazin-4-one undergoes condensation reaction with hydrazine hydrate to yield 3-amino-2-methyl-4(3H)quinazolinone. It undergoes condensation with various substituted aldehydes to afford Schiff′s bases.

공급사30 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

河南英田生物科技有限公司0370-4053511; 18339993703 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

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