4-{[(4-Chlorophenyl)methyl]amino}butanoic acid hydrochloride
Basic information
- CAS
1193389-52-4- Standard SMILES
Cl.O=C(O)CCCNCc1ccc(Cl)cc1- InChIKey
FHQVURHGELGJLT-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2NO2
- Average molar mass
- 264.14 g/mol
- Monoisotopic mass
- 263.0479841
Names & identifiers
- Preferred name
- 4-{[(4-Chlorophenyl)methyl]amino}butanoic acid hydrochloride
- IUPAC
- 4-[(4-chlorophenyl)methylamino]butanoic acid;hydrochloride
- English name
- 4-{[(4-chlorophenyl)methyl]amino}butanoic acid hydrochloride
- Molecular formula
- C11H15Cl2NO2
- Molecular weight
- 264.1483
Names & synonyms
4-{[(4-chlorophenyl)methyl]amino}butanoic acid hydrochloride1193389-52-44-[(4-chlorophenyl)methylamino]butanoic acid;hydrochloride4-([(4-chlorophenyl)methyl]amino)butanoic acid hydrochlorideTXB38952CS-0250851EN300-52451G33422Z7633678404-{[(4-chlorophenyl)methyl]amino}butanoicacidhydrochloride4-((4-CHLOROBENZYL)AMINO)BUTANOIC ACID HYDROCHLORIDE
Database identifiers
- CAS
1193389-52-4- PubChem CID
- 45792014
- EC Number
- 118-372-9
Properties
Computed structural properties
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- 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
Suppliers
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Related reactions
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Compound notes
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