Basic information
- CAS
917747-53-6- Standard SMILES
Cc1cccc(C2(CN)CCOCC2)c1- InChIKey
QPEMLQIYXUKIIZ-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- (4-(m-Tolyl)tetrahydro-2H-pyran-4-yl)methanamine
- IUPAC
- [4-(3-methylphenyl)oxan-4-yl]methanamine
- English name
- C-(4-M-TOLYL-TETRAHYDRO-PYRAN-4-YL)-METHYLAMINE
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
917747-53-6C-(4-m-Tolyl-tetrahydro-pyran-4-yl)-methylamine(4-(m-Tolyl)tetrahydro-2H-pyran-4-yl)methanamine[4-(3-methylphenyl)oxan-4-yl]methanamineAKOS000112509CS-0357232[4-(m-tolyl)tetrahydropyran-4-yl]methanamine4-(3-METHYLPHENYL)TETRAHYDRO-H-PYRAN-4-METHANAMINE2H-Pyran-4-methanamine, tetrahydro-4-(3-methylphenyl)-
Database identifiers
- CAS
917747-53-6- PubChem CID
- 18524016
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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