Completing data — refresh the page later to see the latest
Basic information
- CAS
1080-44-0- Standard SMILES
Cc1ccc(S(=O)(=O)NCC(=O)O)cc1- InChIKey
VDKFCCZUCXYILI-UHFFFAOYSA-N- Molecular formula
- C9H11NO4S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.04087901
Names & identifiers
- Preferred name
- N-((4-Methylphenyl)sulfonyl)glycine
- IUPAC
- 2-[(4-methylphenyl)sulfonylamino]acetic acid
- English name
- N-P-TOSYLGLYCINE
- Molecular formula
- C9H11NO4S
- Molecular weight
- 229.25
Names & synonyms
N-p-Tosylglycine1080-44-0N-[(4-methylphenyl)sulfonyl]glycineN-4-TosylglycineDTXSID00148355N-((4-Methylphenyl)sulfonyl)glycineRefChem:828540DTXCID7070846Tos-Gly-OHN-TosylglycineGlycine, N-[(4-methylphenyl)sulfonyl]-N-(p-Toluenesulfonyl)glycine
Show more names
Tos-GlyAURORA 963N-TOS-Gly-OHN-p-Tosylglycine 97%Tosylaminoacetic acidOTAVA-BB BB0123400526
2-(4-Methylphenylsulfonamido)acetic acidMFCD000458982-[(4-methylphenyl)sulfonylamino]acetic acid(Toluene-4-sulfonylamino)-acetic acidGlycine, N-p-toluenesulfonyl-CHEMBL2874862-{[(4-methylphenyl)sulfonyl]amino}acetic acidHY-W053699
Database identifiers
- CAS
1080-44-0- PubChem CID
- 70653
- DTXSID
DTXSID00148355- ChEMBL
CHEMBL287486- EC Number
- 625-711-9
- Nikkaji
- J228.117A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 147 · 147-149 °C (lit.)
- Boiling point
- 430 · 430.0±55.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.41 · 3.41±0.10(Predicted)
- color
- White
- Major Application
- peptide synthesis
- InChI
- 1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
- InChIKey
- VDKFCCZUCXYILI-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1)S(=O)(=O)NCC(O)=O
- CAS DataBase Reference
- 1080 · 1080-44-0(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2935.90.9500
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesN-Tosylglycine is a sulfonamide derivative used to synthesize metal complexes which potentially displays antibacterial activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017-8007 17602929471 · [email protected]
Related reactions
5 records
HRID 1031284As product39 compound library from "Building a Sulfonamide Library by Eco-Friendly Flow Synthesis"
Compound notes
Loading…