3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
Basic information
- CAS
134796-54-6- Standard SMILES
Cc1ccc(C)n1CCC(=O)O- InChIKey
LDSCRIAAKASRHB-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
- IUPAC
- 3-(2,5-dimethylpyrrol-1-yl)propanoic acid
- English name
- 3-(2,5-Dimethyl-1H-pyrrol-1-yl)propanoic acid
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid134796-54-6DTXSID70354461RefChem:273455DTXCID40305521837-927-23-(2,5-Dimethyl-pyrrol-1-yl)-propionic acid3-(2,5-dimethylpyrrol-1-yl)propanoic acidMFCD022232753-(2,5-Dimethyl-1H-pyrrol-1-yl)propionic acid3-(2,5-dimethylpyrrolyl)propanoic acidBAS 01191395
Show more names
TIMTEC-BB SBB0104841H-Pyrrole-1-propanoic acid, 2,5-dimethyl-
SCHEMBL7396846HMS1677K02JFA79654BBL036506SBB010484AKOS000144086SB62901DB-217578
Database identifiers
- CAS
134796-54-6- PubChem CID
- 774196
- DTXSID
DTXSID70354461- EC Number
- 837-927-2
- Nikkaji
- J2.377.810F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Brown to reddish brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- HazardClass
- 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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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