Basic information
- CAS
914299-47-1- Standard SMILES
Cc1ccc(OCC2CCCNC2)cn1- InChIKey
VGGVMJBXDMMNCJ-UHFFFAOYSA-N- Molecular formula
- C12H18N2O
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.1419132
Names & identifiers
- Preferred name
- 2-Methyl-5-(3-piperidinylmethoxy)pyridine
- IUPAC
- 2-methyl-5-(piperidin-3-ylmethoxy)pyridine
- English name
- 2-Methyl-5-(3-piperidinylmethoxy)pyridine
- Molecular formula
- C12H18N2O
- Molecular weight
- 206.28
Names & synonyms
2-Methyl-5-(3-piperidinylmethoxy)pyridine914299-47-12-methyl-5-(piperidin-3-ylmethoxy)pyridineDTXSID806630112-Methyl-5-[(piperidin-3-yl)methoxy]pyridineAKOS015842571DB-356209Pyridine, 2-methyl-5-(3-piperidinylmethoxy)-
Database identifiers
- CAS
914299-47-1- PubChem CID
- 45075342
- DTXSID
DTXSID80663011
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- form
- solid
- InChI
- 1S/C12H18N2O/c1-10-4-5-12(8-14-10)15-9-11-3-2-6-13-7-11/h4-5,8,11,13H,2-3,6-7,9H2,1H3
- InChIKey
- VGGVMJBXDMMNCJ-UHFFFAOYSA-N
- SMILES
- CC1=CC=C(C=N1)OCC2CNCCC2
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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