Basic information
- CAS
17360-25-7- Standard SMILES
Cc1ccc(S(=O)(=O)NC(C(=O)O)C(C)C)cc1- InChIKey
ZYFUNXTYNIYYJI-UHFFFAOYSA-N- Molecular formula
- C12H17NO4S
- Average molar mass
- 271.33 g/mol
Names & identifiers
- Preferred name
- Tosyl valine, DL-
- IUPAC
- 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid
- English name
- 3-Methyl-2-(toluene-4-sulfonylamino)-butyric acid
- Molecular formula
- C12H17NO4S
- Molecular weight
- 271.33
Names & synonyms
32013-47-1N-Tosyl-DL-valineTosyl valine, DL-N-Tosylvaline, DL-NSC-33495CY91SM6X67UNII-CY91SM6X67DL-Valine, N-((4-methylphenyl)sulfonyl)-RefChem:203326(+-)-3-METHYL-2-(((4-METHYLPHENYL)SULFONYL)AMINO)BUTANOIC ACID3-methyl-2-(4-methylbenzenesulfonamido)butanoic acid3-Methyl-2-(toluene-4-sulfonylamino)-butyric acid
Show more names
L-Valine, N-[(4-methylphenyl)sulfonyl]-(S)-3-methyl-2-(4-methylphenylsulfonamido)butanoic acid(S)-3-Methyl-2-(4-methylbenzenesulfonamido)butanoic acid(2S)-3-methyl-2-(4-methylbenzenesulfonamido)butanoic acid3-METHYL-2-([(4-METHYLPHENYL)SULFONYL]AMINO)BUTANOIC ACID
N-Tos-D/L ValineN-[(4-Methylphenyl)sulfonyl]valineNSC334953-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acidMFCD000483283-methyl-2-(4-methylphenylsulfonamido)butanoic acidN-((4-methylphenyl)sulfonyl)valine(+/-)-3-Methyl-2-(((4-methylphenyl)sulfonyl)amino)butanoic acid
Database identifiers
- CAS
17360-25-7、32013-47-1- PubChem CID
- 285655
- ChEMBL
CHEMBL2000610- UNII
- CY91SM6X67
- Nikkaji
- J1.128.666F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 147 °C · 147 °C
- Boiling point
- 439.9 · 439.9±55.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- pka
- 3.45 · 3.45±0.10(Predicted)
- Cosmetics Ingredients Functions
- HAIR CONDITIONINGSKIN CONDITIONING
- FDA UNII
- 49 VS36SI · KX49VS36SI
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
1 records
Compound notes
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