2-(((3-Chlorophenyl)methyl)amino)-3-methylbutanoic acid hydrochloride
Basic information
- CAS
1396962-45-0- Standard SMILES
CC(C)C(NCc1cccc(Cl)c1)C(=O)O.Cl- InChIKey
XSXBXQVYEMNMCC-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2NO2
- Average molar mass
- 278.17 g/mol
- Monoisotopic mass
- 277.0636342
Names & identifiers
- Preferred name
- 2-(((3-Chlorophenyl)methyl)amino)-3-methylbutanoic acid hydrochloride
- IUPAC
- 2-[(3-chlorophenyl)methylamino]-3-methylbutanoic acid;hydrochloride
- English name
- 2-{[(3-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride
- Molecular formula
- C12H17Cl2NO2
- Molecular weight
- 278.17
Names & synonyms
2-{[(3-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride2-(((3-Chlorophenyl)methyl)amino)-3-methylbutanoic acid hydrochloride2-([(3-CHLOROPHENYL)METHYL]AMINO)-3-METHYLBUTANOIC ACID HYDROCHLORIDERefChem:446802101-673-41396962-45-02-[(3-chlorophenyl)methylamino]-3-methylbutanoic acid;hydrochlorideWFC96245AKOS008090830EN300-52333G39752Z802671576
Show more names
2-{[(3-chlorophenyl)methyl]amino}-3-methylbutanoicacidhydrochloride
Database identifiers
- CAS
1396962-45-0- PubChem CID
- 45791997
- EC Number
- 101-673-4
Properties
Computed structural properties
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (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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