2-Cyano-1-aziridinecarboxamide
Basic information
- CAS
56368-59-3- Standard SMILES
N#CC1CN1C(N)=O- InChIKey
RMSRKYVNQYEPHO-UHFFFAOYSA-N- Molecular formula
- C4H5N3O
- Average molar mass
- 111.1 g/mol
- Monoisotopic mass
- 111.04326179
Overview
structure
Names & identifiers
- Preferred name
- 2-Cyano-1-aziridinecarboxamide
- IUPAC
- 2-cyanoaziridine-1-carboxamide
- English name
- N-(2-cyanoethylene)urea
- Molecular formula
- C4H5N3O
- Molecular weight
- 111.1
Names & synonyms
2-Cyano-1-aziridinecarboxamideN-(2-Cyanoethylene)urea56368-59-3RefChem:161724684-538-72-cyanoaziridine-1-carboxamideN-(2-Cyanaethylene)harnstoff [German]BRN 0472019N-(2-Cyanaethylene)harnstoff1-AZIRIDINECARBOXAMIDE, 2-CYANO-5-22-01-00010 (Beilstein Handbook Reference)CHEMBL146639
Show more names
BA-1N-(2-CYANOETHYLENE)UREA(WXG01258)Purified Anti-Human CD24 Antibody[SN3
SCHEMBL3155911DTXSID609718032-Cyanoaziridine-1-carboximidic acidAKOS006277906
Database identifiers
- CAS
56368-59-3- PubChem CID
- 41854
- DTXSID
DTXSID60971803- ChEMBL
CHEMBL146639- EC Number
- 684-538-7
- Nikkaji
- J395.499D
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesBA 1 is a potent bombesin receptor subtype 3 (BRS-3) agonist. Also it enhances glucose transport in obese and diabetic primary myocytes.
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Compound notes
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