4-[(2-Phenoxyethyl)amino]butanoic acid hydrochloride
Basic information
- CAS
1193390-32-7- Standard SMILES
Cl.O=C(O)CCCNCCOc1ccccc1- InChIKey
LNHZFBZZQDOBJY-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO3
- Average molar mass
- 259.73 g/mol
- Monoisotopic mass
- 259.0975211
Names & identifiers
- Preferred name
- 4-[(2-Phenoxyethyl)amino]butanoic acid hydrochloride
- IUPAC
- 4-(2-phenoxyethylamino)butanoic acid;hydrochloride
- English name
- 4-[(2-phenoxyethyl)amino]butanoic acid hydrochloride
- Molecular formula
- C12H18ClNO3
- Molecular weight
- 259.72922
Names & synonyms
4-[(2-phenoxyethyl)amino]butanoic acid hydrochloride1193390-32-74-(2-phenoxyethylamino)butanoic acid;hydrochlorideAKOS008103674CS-0250779EN300-52201G561034-[(2-phenoxyethyl)amino]butanoicacidhydrochlorideZ752371232
Database identifiers
- CAS
1193390-32-7- PubChem CID
- 45791978
- EC Number
- 172-626-3
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 191
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
Loading…