Basic information
- CAS
1220-80-0- Standard SMILES
Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)cc1- InChIKey
DNBHSCLUHQKGMD-UHFFFAOYSA-N- Molecular formula
- C13H19NO4S
- Average molar mass
- 285.36 g/mol
- Monoisotopic mass
- 285.10347926
Names & identifiers
- Preferred name
- 4-Methyl-2-(4-methylbenzenesulfonamido)pentanoic acid
- IUPAC
- 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid
- English name
- tosyl-L-leucine
- Molecular formula
- C13H19NO4S
- Molecular weight
- 285.36
Names & synonyms
4-methyl-2-(4-methylbenzenesulfonamido)pentanoic acidRefChem:525061985-368-967368-40-5N-[(4-methylphenyl)sulfonyl]leucine4-methyl-2-(4-methylphenylsulfonamido)pentanoic acid4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acidNSC460364-methyl-2-[(4-methylbenzene)sulfonamido]pentanoic acidOprea1_550558Oprea1_668810CBDivE_003033
Show more names
tosyl-L-leucineLeucine, N-[(4-methylphenyl)sulfonyl]-
SCHEMBL7066619CHEMBL5305521BAA22080NSC88495SCA36840MFCD00067467NSC-46036NSC-88495
Database identifiers
- CAS
1220-80-0、67368-40-5- PubChem CID
- 240083
- ChEMBL
CHEMBL5305521- EC Number
- 985-368-9
- Nikkaji
- J1.784.149A
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
- 391
Physicochemical properties
- Melting point
- 122 · 122-123 °C
- Boiling point
- 450.1 · 450.1±55.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- pka
- 3.46 · 3.46±0.21(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Applications
Uses4-Methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic Acid is used to prepare N-sulfonyl-2-piperazinones and analogs as δ-lactam inhibitors of elastase.
Suppliers1 total
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
Related reactions
3 records
Compound notes
Loading…