tert-Butyl 2-(4-bromobenzyl)-3-(methylamino)propanoate hydrochloride
Basic information
- CAS
1159822-24-8- Standard SMILES
CNCC(Cc1ccc(Br)cc1)C(=O)OC(C)(C)C.Cl- InChIKey
RKEXFBFEPNVAMK-UHFFFAOYSA-N- Molecular formula
- C15H23BrClNO2
- Average molar mass
- 364.7 g/mol
- Monoisotopic mass
- 363.06007
Names & identifiers
- Preferred name
- tert-Butyl 2-(4-bromobenzyl)-3-(methylamino)propanoate hydrochloride
- IUPAC
- tert-butyl 2-[(4-bromophenyl)methyl]-3-(methylamino)propanoate;hydrochloride
- English name
- tert-Butyl 3-(4-bromophenyl)-2-((methylamino)methyl)propanoate HCl
- Molecular formula
- C15H23BrClNO2
- Molecular weight
- 364.70562
Names & synonyms
1159822-24-8tert-Butyl 2-(4-bromobenzyl)-3-(methylamino)propanoate hydrochlorideTERT-BUTYL 3-(4-BROMOPHENYL)-2-((METHYLAMINO)METHYL)PROPANOATE HCLtert-butyl 3-(4-bromophenyl)-2-((methylamino)methyl)propanoate hydrochlorideMFCD08061156tert-butyl 2-[(4-bromophenyl)methyl]-3-(methylamino)propanoate;hydrochloridetert-Butyl 3-(4-bromophenyl)-2-((methylamino)methyl)propanoate, HCltert-Butyl 2-(4-bromobenzyl)-3-(methylamino)propanoatehydrochloride3-(4-bromo-phenyl)-2-methylaminomethyl-propionic acid tert-butyl ester hydrochlorideTERT-BUTYL 2-[(4-BROMOPHENYL)METHYL]-3-(METHYLAMINO)PROPANOATE HYDROCHLORIDEC15H23BrClNO2DTXSID90661487
Show more names
Benzenepropanoic acid, 4-bromo-.alpha.-[(methylamino)methyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
AKOS026670704AS-35981CS-0171700F041336tert-Butyl2-(4-bromobenzyl)-3-(methylamino)propanoatehydrochloridetert-Butyl 2-(4-bromobenzyl)-3-(methylamino)propanoatehydrochloridetert-Butyl 2-[(4-bromophenyl)methyl]-3-(methylamino)propanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
1159822-24-8- PubChem CID
- 44891012
- DTXSID
DTXSID90661487
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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