Basic information
- CAS
53316-57-7- Standard SMILES
Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)C(C#N)=C(N)O2- InChIKey
PRYBIJAJECYWEP-UHFFFAOYSA-N- Molecular formula
- C20H16N4O
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.13241115
Names & identifiers
- Preferred 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
- English name
- 6-AMINO-3-METHYL-1,4-DIPHENYL-1,4-DIHYDRO-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
- Molecular formula
- C20H16N4O
- Molecular weight
- 328.37
Names & synonyms
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
Show more names
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
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 567
Physicochemical properties
- Melting point
- 170 · 170-171 °C(Solv: ethanol (64-17-5))
- Boiling point
- 555.4 · 555.4±50.0 °C(Predicted)
- Density
- 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)
- Appearance
- White to off-white Solid
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers21 total
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]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海超岚化工科技中心
Related reactions
1 records
Compound notes
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