2-((1,3-Benzothiazol-2-yl)amino)acetic acid
Basic information
- CAS
91192-36-8- Standard SMILES
O=C(O)CNc1nc2ccccc2s1- InChIKey
NQWYPNHFJRHOKO-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.03064868
Names & identifiers
- Preferred name
- 2-((1,3-Benzothiazol-2-yl)amino)acetic acid
- IUPAC
- 2-(1,3-benzothiazol-2-ylamino)acetic acid
- English name
- Glycine, N-2-benzothiazolyl- (6CI,7CI,9CI)
- Molecular formula
- C9H8N2O2S
- Molecular weight
- 208.24
Names & synonyms
2-[(1,3-benzothiazol-2-yl)amino]acetic acid2-((1,3-Benzothiazol-2-yl)amino)acetic acidRefChem:447294108-572-491192-36-82-(1,3-benzothiazol-2-ylamino)acetic acidN-1,3-benzothiazol-2-ylglycineMFCD004634552-(Benzo[d]thiazol-2-ylamino)acetic acidN-2-BenzothiazolylglycineCBKinase1_000198CBKinase1_012598
Show more names
Glycine, N-2-benzothiazolyl-(BENZOTHIAZOL-2-YLAMINO)-ACETIC ACIDGlycine, N-2-benzothiazolyl- (6CI,7CI,9CI)
Oprea1_043611CBDivE_008162SCHEMBL6640386DTXSID90332605RDA19236N-(1,3-Benzothiazol-2-yl)glycineSTK3653042-(benzothiazol-2-ylamino)acetic acid
Database identifiers
- CAS
91192-36-8- PubChem CID
- 459116
- DTXSID
DTXSID90332605- EC Number
- 108-572-4、159-196-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 201 · 201-202 °C
- Boiling point
- 411.7 · 411.7±47.0 °C(Predicted)
- Density
- 1.521 · 1.521±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.10(Predicted)
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, P273, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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