Basic information
- CAS
54385-49-8- Standard SMILES
N#Cc1[nH]nc(N)c1C#N- InChIKey
ZPICOUKAFAPIOK-UHFFFAOYSA-N- Molecular formula
- C5H3N5
- Average molar mass
- 133.11 g/mol
- Monoisotopic mass
- 133.03884512
Names & identifiers
- Preferred name
- 3-amino-1H-pyrazole-4,5-dicarbonitrile
- IUPAC
- 3-amino-1H-pyrazole-4,5-dicarbonitrile
- English name
- 3-amino-1H-pyrazole-4,5-dicarbonitrile
- Molecular formula
- C5H3N5
- Molecular weight
- 133.11
Names & synonyms
54385-49-85-amino-1h-pyrazole-3,4-dicarbonitrile3-amino-1H-pyrazole-4,5-dicarbonitrileMFCD066618783-Aminopyrazole-4,5-dicarbonitrileC5H3N53,4-Dicyano-5-aminopyrazoleNSC3630201H-Pyrazole-3,4-dicarbonitrile, 5-amino-SCHEMBL1847850SCHEMBL11463109DTXSID20320676
Show more names
ZPICOUKAFAPIOK-UHFFFAOYSA-N5-aminopyrazole-3,4-dicarbonitrileECA38549ZB0109AKOS004910357AKOS006318422NSC-3630205-Amino-1H-pyrazole-34-dicarbonitrile
Database identifiers
- CAS
54385-49-8- PubChem CID
- 338830
- DTXSID
DTXSID20320676
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 626.7 · 626.7±55.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 7.1 · 7.10±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers17 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
成都效佳科技有限公司15902830537 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
石家庄靖康科技有限公司13933818572 · [email protected]
Related reactions
4 records
Compound notes
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