Basic information
- CAS
1508008-77-2- Standard SMILES
O=C1NCC2(CCCNC2)N1- InChIKey
OWDXVKSJDZVIRF-UHFFFAOYSA-N- Molecular formula
- C7H13N3O
- Average molar mass
- 155.2 g/mol
- Monoisotopic mass
- 155.10586205
Names & identifiers
- Preferred name
- 1,3,7-Triazaspiro(4.5)decan-2-one
- IUPAC
- 1,3,9-triazaspiro[4.5]decan-2-one
Names & synonyms
1,3,7-Triazaspiro[4.5]decan-2-one1508008-77-21,3,7-Triazaspiro(4.5)decan-2-oneRefChem:412792977-239-0SCHEMBL24535221DB-390239H40382
Database identifiers
- CAS
1508008-77-2- PubChem CID
- 83679914
- EC Number
- 977-239-0
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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