N-(P-Tosyl)-L-isoleucine
Basic information
- CAS
34235-81-9- Standard SMILES
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O- InChIKey
VPXRIBOJICTEAH-JQWIXIFHSA-N- Molecular formula
- C13H19NO4S
- Average molar mass
- 285.36 g/mol
- Monoisotopic mass
- 285.10347926
Names & identifiers
- Preferred name
- N-(P-Tosyl)-L-isoleucine
- IUPAC
- (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid
- English name
- N-(p-Tosyl)-L-isoleucine
- Molecular formula
- C13H19NO4S
- Molecular weight
- 285.36
Names & synonyms
N-(P-TOSYL)-L-ISOLEUCINERefChem:828548667-936-5(2S,3S)-3-methyl-2-(4-methylbenzenesulfonamido)pentanoic acid(2S,3S)-3-Methyl-2-(4-methylphenylsulfonamido)pentanoic acidMFCD00136702p-toluenesulfonyl-l-isoleucineSCHEMBL28216417(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acidSTK361809AKOS005429464NS-04738
Show more names
L-Isoleucine, N-[(4-methylphenyl)sulfonyl]-
N-[(4-methylphenyl)sulfonyl]-L-isoleucineEN300-302698Z115608306(2S,3S)-3-methyl-2-(p-tolylsulfonylamino)pentanoic acid
Database identifiers
- CAS
34235-81-9- PubChem CID
- 6941791
- EC Number
- 667-936-5
- Nikkaji
- J976.668E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Melting point
- 135 · 135-136 °C
- Boiling point
- 450.1 · 450.1±55.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- pka
- 3.47 · 3.47±0.22(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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