Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(sec-butylamino)methyl-, oxalate
Basic information
- CAS
64036-63-1- Standard SMILES
CCC(C)NCC1COC2(O1)c1ccccc1CCc1ccccc12.O=C(O)C(=O)O- InChIKey
FOPVWIQJESKKKW-UHFFFAOYSA-N- Molecular formula
- C24H29NO6
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.19948764
Names & identifiers
- Preferred name
- Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(sec-butylamino)methyl-, oxalate
- IUPAC
- oxalic acid;N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)butan-2-amine
Names & synonyms
64036-63-1Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(sec-butylamino)methyl-, oxalateRefChem:380920DTXSID00981986Oxalic acid--N-[(10,11-dihydrospiro[dibenzo[a,d][7]annulene-5,2'-[1,3]dioxolan]-4'-yl)methyl]butan-2-amine (1/1)
Database identifiers
- CAS
64036-63-1- PubChem CID
- 115694
- DTXSID
DTXSID00981986
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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