Basic information
- CAS
250714-64-8- Standard SMILES
CC(NS(=O)(=O)c1ccc(F)cc1)C(=O)O- InChIKey
JOYNOYIEQOCUEJ-LURJTMIESA-N- Molecular formula
- C9H10FNO4S
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.03145714
Names & identifiers
- Preferred name
- 2-{[(4-Fluorophenyl)sulfonyl]amino}propanoic acid
- IUPAC
- 2-[(4-fluorophenyl)sulfonylamino]propanoic acid
- English name
- 2-([(4-FLUOROPHENYL)SULFONYL]AMINO)PROPANOIC ACID
- Molecular formula
- C9H10FNO4S
- Molecular weight
- 247.24
Names & synonyms
780-97-2250714-64-82-{[(4-Fluorophenyl)sulfonyl]amino}propanoic acid2-(4-fluorobenzenesulfonamido)propanoic acid2-(4-Fluorophenylsulfonamido)propanoic acid2-[(4-fluorophenyl)sulfonylamino]propanoic acid2-(4-Fluoro-benzenesulfonylamino)-propionic acid2-([(4-fluorophenyl)sulfonyl]amino)propanoic acidMFCD006643482-(4-Fluorobenzenesulphamido)propanoic acidN-(4-Fluorobenzene-1-sulfonyl)alanine((4-fluorophenyl)sulfonyl)alanine
Show more names
AKOS BC-3090TIMTEC-BB SBB010205N-(4-FLUOROBENZENESULFONYL)ALANINEN-(4-Fluorobenzenesulphonyl)alanine((4-Fluorophenyl)sulfonyl)-L-alanineL-Alanine, N-[(4-fluorophenyl)sulfonyl]-2-(4-FLUOROPHENYLSULPHAMIDO)PROPIONIC ACID2-(4-FLUOROBENZENESULFAMIDO)PROPIONIC ACID2-(4-Fluorobenzenesulphamido)propionic acid
N-[(4-Fluorophenyl)sulfonyl]-L-alanineSCHEMBL7468791DTXSID70379199DTXSID501292293AKA71464N-[(4-fluorophenyl)sulfonyl]alanineSBB010205AKOS000264534
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 163 · 163-165°C
- Boiling point
- 416.938 · 416.938±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.345 · 3.345±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2930909899 · 2930909899
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, P317, 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
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P305+P351+P338
Chemistry & industry
Suppliers6 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…