Basic information
- CAS
1513130-41-0- Standard SMILES
Cn1nc2c(c1N)COCC2- InChIKey
GPRVTGXMHAXWRK-UHFFFAOYSA-N- Molecular formula
- C7H11N3O
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.09021198
Names & identifiers
- Preferred name
- 2-methyl-2H,4H,6H,7H-pyrano(4,3-c)pyrazol-3-amine
- IUPAC
- 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
Names & synonyms
1513130-41-02-methyl-2H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-amine2-methyl-2H,4H,6H,7H-pyrano(4,3-c)pyrazol-3-amineRefChem:475239896-816-72-METHYL-2,4,6,7-TETRAHYDROPYRANO[4,3-C]PYRAZOL-3-AMINE2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amineNKC13041EN300-388445
Database identifiers
- CAS
1513130-41-0- PubChem CID
- 83679996
- EC Number
- 896-816-7
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
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, 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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