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

HCID 326810
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基本情報

CAS
53316-57-7
標準SMILES
Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)C(C#N)=C(N)O2
InChIKey
PRYBIJAJECYWEP-UHFFFAOYSA-N
分子式
C20H16N4O
平均分子量
328.4 g/mol
単同位体質量
328.13241115

名称と識別子

優先名称
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
英語名
6-AMINO-3-METHYL-1,4-DIPHENYL-1,4-DIHYDRO-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
分子式
C20H16N4O
分子量
328.37

名称と別名

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
名称をさらに表示
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

データベース識別子

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

物性

構造計算による物性

XLogP
4
極性表面積
76.9 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
2
重原子数
25

物理化学的性質

融点
170 · 170-171 °C(Solv: ethanol (64-17-5))
沸点
555.4 · 555.4±50.0 °C(Predicted)
比重(密度)
1.28 · 1.28±0.1 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C, protect from light
酸解離定数(Pka)
2.76 · 2.76±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

化学と産業

サプライヤー21 社

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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