Basic information
- CAS
1176742-41-8- Standard SMILES
COCn1cc(N)ccc1=O- InChIKey
MGGVKENYJLIMFK-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- 5-Amino-1-(methoxymethyl)-1,2-dihydropyridin-2-one
- IUPAC
- 5-amino-1-(methoxymethyl)pyridin-2-one
- English name
- 2(1H)-Pyridinone, 5-amino-1-(methoxymethyl)-
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
5-amino-1-(methoxymethyl)-1,2-dihydropyridin-2-one1176742-41-8RefChem:531994850-609-8BXB74241AKOS014320614CS-0261374EN300-7832052(1H)-Pyridinone, 5-amino-1-(methoxymethyl)-
Database identifiers
- CAS
1176742-41-8- PubChem CID
- 64989341
- EC Number
- 850-609-8
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 283 · 283.0±40.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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