1-Cyclopentylazetidine-2-carboxylic acid
Basic information
- CAS
1042413-79-5- Standard SMILES
O=C(O)C1CCN1C1CCCC1- InChIKey
FUCQOVYPBMMTMO-UHFFFAOYSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- 1-Cyclopentylazetidine-2-carboxylic acid
- IUPAC
- 1-cyclopentylazetidine-2-carboxylic acid
- English name
- 1-Cyclopentylazetidine-2-carboxylic acid
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
1-cyclopentylazetidine-2-carboxylic Acid1042413-79-5RefChem:431805888-050-7MFCD04038981SCHEMBL992855SRB41379AKOS004115452AKOS0238438131-cyclopentylazetidine-2-carboxylicAcidPS-5880SB50790
Show more names
2-Azetidinecarboxylic acid, 1-cyclopentyl-1-Cyclopentylazetane-2-carboxylic acid, 2-Carboxy-1-cyclopentylazetidine
1-Cyclopentyl-2-azetidinecarboxylic acidDB-363534EN300-246859Z1255450742
Database identifiers
- CAS
1042413-79-5- PubChem CID
- 4385243
- EC Number
- 888-050-7
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 293.4 · 293.4±33.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- pka
- 2.33 · 2.33±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Irritant
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…