Basic information
- CAS
56112-89-1- Standard SMILES
N#CCCn1nc2c(c1N)CCC2- InChIKey
XGKBJTZXDKBXEU-UHFFFAOYSA-N- Molecular formula
- C9H12N4
- Average molar mass
- 176.22 g/mol
- Monoisotopic mass
- 176.1061964
Names & identifiers
- Preferred name
- Mls002707355
- IUPAC
- 3-(3-amino-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)propanenitrile
- English name
- 3-AMINO-2,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOLE-2-PROPIONITRILE
- Molecular formula
- C9H12N4
- Molecular weight
- 176.22
Names & synonyms
56112-89-1MLS002707355DTXSID20298548RefChem:357245DTXCID102496853-(3-Amino-5,6-dihydrocyclopenta[c]pyrazol-2(4H)-yl)propanenitrile3-(3-amino-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)propanenitrilecyclopenta[c]pyrazole-2(4h)-propanenitrile, 3-amino-5,6-dihydro-MFCD000226163-[3-amino-5,6-dihydrocyclopenta[c]pyrazol-2(4H)-yl]propanenitrileNSC124135SCHEMBL11743978
Show more names
2(4H)-Cyclopentapyrazolepropanenitrile, 3-amino-5,6-dihydro-3-AMINO-2,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOLE-2-PROPIONITRILE, TECH
3-{3-amino-2H,4H,5H,6H-cyclopenta[c]pyrazol-2-yl}propanenitrileAKOS006273191NSC-124135SMR001574747CS-0365593ST504438069X-0844
Database identifiers
- CAS
56112-89-1- PubChem CID
- 276384
- DTXSID
DTXSID20298548- EC Number
- 654-201-9
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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