N,N-Dibenzyl-3-methyl-2,2'-spirobi(2H-1-benzopyran)-7-amine
Basic information
- CAS
94232-73-2- Standard SMILES
CC1=Cc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2OC12C=Cc1ccccc1O2- InChIKey
PTXQAQMURVVVMY-UHFFFAOYSA-N- Molecular formula
- C32H27NO2
- Average molar mass
- 457.6 g/mol
- Monoisotopic mass
- 457.2041791
Names & identifiers
- Preferred name
- N,N-Dibenzyl-3-methyl-2,2'-spirobi(2H-1-benzopyran)-7-amine
- IUPAC
- N,N-dibenzyl-3'-methyl-2,2'-spirobi[chromene]-7'-amine
- English name
- N,N-dibenzyl-3-methyl-2,2'-spirobi[2H-1-benzopyran]-7-amine
- Molecular formula
- C32H27NO2
- Molecular weight
- 457.56
Names & synonyms
94232-73-2EINECS 304-002-5N,N-Dibenzyl-3-methyl-2,2'-spirobi(2H-1-benzopyran)-7-amineDTXSID50915993PTXQAQMURVVVMY-UHFFFAOYSA-NNS00066498N,N-Dibenzyl-3-methyl-2,2'-spirobi[[1]benzopyran]-7-amineN,N-dibenzyl-3'-methyl-2,2'-spirobi[chromene]-7'-amineN,N-dibenzyl-3-methyl-2,2'-spirobi[2H-1-benzopyran]-7-amine3-Methyl-N,N-bis(phenylmethyl)-2,2'-spirobi[2H-1-benzopyran]-7-amine2,2'-Spirobi[2H-1-benzopyran]-7-amine, 3-methyl-N,N-bis(phenylmethyl)-
Database identifiers
- CAS
94232-73-2- PubChem CID
- 44149705
- DTXSID
DTXSID50915993- EC Number
- 304-002-5
- Nikkaji
- J382.643K
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 744
Physicochemical properties
- Boiling point
- 659 · 659.0±55.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 2.99 · 2.99±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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