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

HCID 326810CAS 53316-57-7
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Grundinformationen

Standard-SMILES
Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)C(C#N)=C(N)O2
InChIKey
PRYBIJAJECYWEP-UHFFFAOYSA-N
Summenformel
C20H16N4O
Durchschnittliche Molmasse
328,4 g/mol
Monoisotopische Masse
328,13241115

Namen und Bezeichner

Bevorzugter Name
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
Englischer Name
6-AMINO-3-METHYL-1,4-DIPHENYL-1,4-DIHYDRO-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
Summenformel
C20H16N4O
Molmasse
328.37

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4
Polarare Oberfläche (TPSA)
76,9 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
25

Physikochemische Eigenschaften

Schmelzpunkt
170 · 170-171 °C(Solv: ethanol (64-17-5))
Siedepunkt
555.4 · 555.4±50.0 °C(Predicted)
Dichte
1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
pka
2.76 · 2.76±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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

Chemie und Industrie

Anbieter21 Anbieter

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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