Basic information
- CAS
852400-00-1- Standard SMILES
O=C(O)CCN1C(=O)NC2(CCCC2)C1=O- InChIKey
MFINOZHKRKAUEO-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- 3-(2,4-Dioxo-1,3-diazaspiro(4.4)nonan-3-yl)propanoic acid
- IUPAC
- 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
- English name
- 3-(2,4-Dioxo-1,3-diaza-spiro[4.4]non-3-yl)-propionic acid
- Molecular formula
- C10H14N2O4
- Molecular weight
- 226.23
Names & synonyms
852400-00-13-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid3-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}propanoic acid3-(2,4-Dioxo-1,3-diazaspiro(4.4)nonan-3-yl)propanoic acidRefChem:490096961-338-03-(2,4-Dioxo-1,3-diaza-spiro[4.4]non-3-yl)-propionic acid3-(1,3-dioxo-2,4-diazaspiro[4.4]non-2-yl)propanoic acidMLS0000604843-(2,4-dioxo-1,3-diazaspiro[4.4]non-3-yl)propanoic acidCHEMBL1415005HMS2366G16
Show more names
1,3-Diazaspiro[4.4]nonane-3-propanoic acid, 2,4-dioxo-
MFCD06655401SBB085346AKOS000200839SMR000068517ST50341919EN300-12646G26640AB00423035-05
Database identifiers
- CAS
852400-00-1- PubChem CID
- 2998413
- ChEMBL
CHEMBL1415005
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 4.34 · 4.34±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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