Basic information
- CAS
462068-54-8- Standard SMILES
CC(C)c1nccn1CCC(=O)O- InChIKey
CCERZQAOAPQXRS-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- 3-(2-isopropyl-1H-imidazol-1-yl)propanoic acid
- IUPAC
- 3-(2-propan-2-ylimidazol-1-yl)propanoic acid
- English name
- 3-(2-Isopropyl-imidazol-1-yl)-propionic acid
- Molecular formula
- C9H14N2O2
- Molecular weight
- 182.22
Names & synonyms
462068-54-83-(2-isopropyl-1H-imidazol-1-yl)propanoic acid3-(2-Isopropyl-imidazol-1-yl)-propionic acid3-(2-propan-2-ylimidazol-1-yl)propanoic acid3-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoic acidMFCD027375761H-imidazole-1-propanoic acid, 2-(1-methylethyl)-3-(2-isopropylimidazol-1-yl)propanoic acid2-(1-METHYLETHYL)-1H-IMIDAZOLE-1-PROPANOIC ACIDChemDiv3_003513F0918-2549SCHEMBL2627813
Show more names
3-(2-isopropyl-1-imidazolyl)propanoic acid
CHEMBL1620410DTXSID60353660HMS1482P15ALBB-026687BBL034855AKOS000248996IDI1_021423LS-09136
Database identifiers
- CAS
462068-54-8- PubChem CID
- 747640
- DTXSID
DTXSID60353660- ChEMBL
CHEMBL1620410- EC Number
- 675-243-4
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- 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
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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