Basic information
- CAS
310457-07-9- Standard SMILES
O=C(O)CCNC(=O)c1ccc(Br)cc1- InChIKey
AWXOXDFIMZLYSX-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO3
- Average molar mass
- 272.09 g/mol
- Monoisotopic mass
- 270.98440528
Names & identifiers
- Preferred name
- N-(4-Bromobenzoyl)-beta-alanine
- IUPAC
- 3-[(4-bromobenzoyl)amino]propanoic acid
- English name
- β-Alanine, N-(4-bromobenzoyl)-
- Molecular formula
- C10H10BrNO3
- Molecular weight
- 272.1
Names & synonyms
3-[(4-bromophenyl)formamido]propanoic acid310457-07-9N-(4-Bromobenzoyl)-beta-alanineDTXSID3013085833-((4-bromophenyl)formamido)propanoic acidRefChem:827231DTXCID201738484894-031-43-[(4-bromobenzoyl)amino]propanoic acidOprea1_536598SCHEMBL17946072AWXOXDFIMZLYSX-UHFFFAOYSA-N
Show more names
β-Alanine, N-(4-bromobenzoyl)-
KMA45707N-(4-Bromobenzoyl)-I(2)-alanineN-(4-Bromobenzoyl)-beta-alanine #AKOS0001176793-[(4-bromophenyl)formamido]propanoicacidPropionic acid, 3-(4-bromobenzoylamino)-DB-112412CS-0221125
Database identifiers
- CAS
310457-07-9- PubChem CID
- 603875
- DTXSID
DTXSID301308583- EC Number
- 894-031-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 481.1 · 481.1±30.0 °C(Predicted)
- Density
- 1.567 · 1.567±0.06 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.10(Predicted)
- 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
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…