Basic information
- CAS
23996-53-4- Standard SMILES
N#CCCn1ccnc1- InChIKey
XEQIISVRKIKCLQ-UHFFFAOYSA-N- Molecular formula
- C6H7N3
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.06399722
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1H-Imidazole-1-propanenitrile
- IUPAC
- 3-imidazol-1-ylpropanenitrile
- English name
- N-(2-Cyanoethyl)-imidazole
- Molecular formula
- C6H7N3
- Molecular weight
- 121.14
Names & synonyms
1H-Imidazole-1-propanenitrileRefChem:4383773-(1H-Imidazol-1-yl)propanenitrile23996-53-43-Imidazol-1-ylpropanenitrileN-(2-Cyanoethyl)-imidazole1-(2-cyanoethyl)imidazoleMFCD019101073-(1-imidazolyl)propanenitrileImidazole-1-propionitrilen-(2-cyanoethyl)imidazole1H-Imidazole-1-propionitrile
Show more names
AKOS B018548ART-CHEM-BB B0185483-imidazo-1-yl-propionitrile1H-Imidazole-1-propanenitrile(9CI)
EC 607-301-1SCHEMBL473801-(beta-cyanoethyl)imidazoleDTXSID50339610ALBB-004607STK251713AKOS0002065233-(1H-Imidazol-1-yl)propanenitrile #
Database identifiers
- CAS
23996-53-4- PubChem CID
- 557278
- DTXSID
DTXSID50339610- Nikkaji
- J183.846F
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 35 · 35-36 °C
- Boiling point
- 145 °C · 145 °C
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- vapor pressure
- 15.6 · 15.6-75.4hPa at 20-50℃
- storage temp.
- 2 · 2-8°C
- pka
- 6.55 · 6.55±0.10(Predicted)
- form
- Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HazardClass
- IRRITANT
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H315-H319-H332-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers34 total
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
山东卡宾新材料科技有限公司17829912583 17392550121 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd
Related reactions
2 records
Compound notes
Loading…