Cis-4'-ethylhexahydrophthalanilic acid
Basic information
- CAS
17716-17-5- Standard SMILES
CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1- InChIKey
FJKAEAIWQJOGON-KGLIPLIRSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- Cis-4'-ethylhexahydrophthalanilic acid
- IUPAC
- cis-(1S,2R)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
Names & synonyms
CIS-4'-ETHYLHEXAHYDROPHTHALANILIC ACIDRefChem:57733617716-17-5666-401-3AKOS024324178ST50445424(1S,2R)-2-[N-(4-ethylphenyl)carbamoyl]cyclohexanecarboxylic acid
Database identifiers
- CAS
17716-17-5- PubChem CID
- 853835
- EC Number
- 666-401-3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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