6-Amino-3-methyl-1,4-diphenyl-1,4-dihydropyrano(2,3-c)pyrazole-5-carbonitrile

HCID 326810CAS 53316-57-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)C(C#N)=C(N)O2
InChIKey
PRYBIJAJECYWEP-UHFFFAOYSA-N
분자식
C20H16N4O
평균 분자량
328.4 g/mol
단동위원소 질량
328.13241115

이름 및 식별자

우선 이름
6-Amino-3-methyl-1,4-diphenyl-1,4-dihydropyrano(2,3-c)pyrazole-5-carbonitrile
IUPAC
6-amino-3-methyl-1,4-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
영어명
6-AMINO-3-METHYL-1,4-DIPHENYL-1,4-DIHYDRO-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
분자식
C20H16N4O
분자량
328.37

이름 및 동의어

53316-57-76-amino-3-methyl-1,4-diphenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileDTXSID003160576-Amino-3-methyl-1,4-diphenyl-1,4-dihydropyrano(2,3-c)pyrazole-5-carbonitrileRefChem:1073787DTXCID902671806-Amino-3-methyl-1,4-diphenyl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3-methyl-1,4-diphenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrileMFCD002187086-Amino-1,4-dihydro-3-methyl-1,4-diphenylpyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3-methyl-1,4-diphenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrileNSC298889
이름 더 보기
Pyrano[2,3-c]pyrazole-5-carbonitrile,6-amino-1,4-dihydro-3-methyl-1,4-diphenyl-6-amino-1,4-dihydro-3-methyl-1,4-diphenylpyranbenzo[2,3-c]pyridineazole-5-methylnitrile6-Amino-3-methyl-1,4-diphenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile - [A70422]
CBMicro_014232Cambridge id 5224711MLS002539632CHEMBL1567760SCHEMBL15053738PRYBIJAJECYWEP-UHFFFAOYSA-NHMS2284E10DCA31657

데이터베이스 식별자

CAS
53316-57-7
PubChem CID
326810
DTXSID
DTXSID00316057
ChEMBL
CHEMBL1567760
EC Number
158-043-7
Nikkaji
J1.821.177G

물성

구조 계산 물성

XLogP
4
극성 표면적
76.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
25

물리화학적 성질

녹는점
170 · 170-171 °C(Solv: ethanol (64-17-5))
끓는 점
555.4 · 555.4±50.0 °C(Predicted)
밀도
1.28 · 1.28±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C, protect from light
산도 계수 (pKa)
2.76 · 2.76±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.

유해성 정보

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

화학 및 산업

공급사21 곳

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Shanghai Safer Pharmaceutical Technology Co., Ltd.021-31761238 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]

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