Basic information
- CAS
40520-31-8- Standard SMILES
c1ccc2c(c1)CCCC2NC1=NCCO1- InChIKey
FXNNPMSELIMMHU-UHFFFAOYSA-N- Molecular formula
- C13H16N2O
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.12626314
Names & identifiers
- Preferred name
- 1-Naphthylamine, 1,2,3,4-tetrahydro-N-(2-oxazolin-2-yl)-
- IUPAC
- N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Names & synonyms
40520-31-81-Naphthylamine, 1,2,3,4-tetrahydro-N-(2-oxazolin-2-yl)-RefChem:1056084CHEMBL750302-(1,2,3,4-Tetrahydro-1-naphthylamino)-2-oxazolineN-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amineSCHEMBL17240621,2,3,4-Tetrahydro-N-(2-oxazolinyl)-1-naphthylamineDTXSID20960930BDBM50212995
Database identifiers
- CAS
40520-31-8- PubChem CID
- 218362
- DTXSID
DTXSID20960930- ChEMBL
CHEMBL75030- Nikkaji
- J61.721K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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