4-((4-Phenyl-1,3-thiazol-2-yl)amino)butanoic acid
Basic information
- CAS
869634-04-8- Standard SMILES
O=C(O)CCCNc1nc(-c2ccccc2)cs1- InChIKey
IMNKPPYHTUWMSR-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.07759887
Names & identifiers
- Preferred name
- 4-((4-Phenyl-1,3-thiazol-2-yl)amino)butanoic acid
- IUPAC
- 4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
- English name
- 4-[(4-Phenyl-1,3-thiazol-2-yl)amino]butanoic acid
- Molecular formula
- C13H14N2O2S
- Molecular weight
- 262.33
Names & synonyms
4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic Acid869634-04-84-((4-Phenyl-1,3-thiazol-2-yl)amino)butanoic acidRefChem:509576100-311-2HMS1776A04AKOS009028901EN300-14500G216254-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoicAcidZ104341140Butanoic acid, 4-[(4-phenyl-2-thiazolyl)amino]-
Database identifiers
- CAS
869634-04-8- PubChem CID
- 7130840
- EC Number
- 100-311-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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