Basic information
- CAS
173850-53-8- Standard SMILES
Cc1cc(CN2CCNCC2)on1- InChIKey
IICSMQOSSHSZLK-UHFFFAOYSA-N- Molecular formula
- C9H15N3O
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.12151211
Names & identifiers
- Preferred name
- 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole
- IUPAC
- 3-methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole
- English name
- Piperazine, 1-[(3-methyl-5-isoxazolyl)methyl]- (9CI)
- Molecular formula
- C9H15N3O
- Molecular weight
- 181.23
Names & synonyms
173850-53-81-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine3-methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole3-Methyl-5-(piperazin-1-ylmethyl)isoxazolePiperazine, 1-[(3-methyl-5-isoxazolyl)methyl]- (9CI)3-methyl-5-(piperazinylmethyl)isoxazoleDTXSID80429311YGA85053SBB026217STK353144AKOS005168936DB-064920
Show more names
1-[(3-methyl-5-isoxazolyl)methyl]Piperazine1-[(3-METHYLISOXAZOL-5-YL)METHYL]PIPERAZINEPiperazine, 1-[(3-methyl-5-isoxazolyl)methyl]-
CS-0448610ST45135249EN300-34769G41503Z14954522141-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
173850-53-8- PubChem CID
- 9106582
- DTXSID
DTXSID80429311
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 298.9 · 298.9±35.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- pka
- 9 · 9.00±0.10(Predicted)
Chemistry & industry
Suppliers4 total
CHEMSTEP[email protected]
德拜科技有限公司00852-2521 1836
PRINCETON[email protected]
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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