Basic information
- CAS
50765-82-7- Standard SMILES
CC(C)=CCN(CC=C(C)C)CCC(C#N)(CCN(CC=C(C)C)CC=C(C)C)c1cccc2ccccc12- InChIKey
DDWKCBUSQTZBMR-UHFFFAOYSA-N- Molecular formula
- C36H51N3
- Average molar mass
- 525.8 g/mol
- Monoisotopic mass
- 525.40829864
Names & identifiers
- Preferred name
- alpha,alpha-Bis(2-(bis(3-methyl-2-buten-1-yl)amino)ethyl)-1-naphthaleneacetonitrile
- IUPAC
- 4-[bis(3-methylbut-2-enyl)amino]-2-[2-[bis(3-methylbut-2-enyl)amino]ethyl]-2-naphthalen-1-ylbutanenitrile
- English name
- α,α-Bis[2-[bis(3-methyl-2-butenyl)amino]ethyl]-1-naphthaleneacetonitrile
- Molecular formula
- C36H51N3
- Molecular weight
- 525.81
Names & synonyms
50765-82-7HUT8O9HA66NSC 1847451-Naphthaleneacetonitrile, alpha,alpha-bis(2-(bis(3-methyl-2-butenyl)amino)ethyl)-BRN 3076220UNII-HUT8O9HA66NSC-184745alpha,alpha-Bis(2-diprenylaminoethyl)-1-naphthylacetonitrileDTXSID70198802alpha,alpha-Bis(2-(bis(3-methyl-2-buten-1-yl)amino)ethyl)-1-naphthaleneacetonitrile.ALPHA.,.ALPHA.-BIS(2-(BIS(3-METHYL-2-BUTEN-1-YL)AMINO)ETHYL)-1-NAPHTHALENEACETONITRILE1-NAPHTHALENEACETONITRILE, .ALPHA.,.ALPHA.-BIS(2-(BIS(3-METHYL-2-BUTENYL)AMINO)ETHYL)-
Show more names
α,α-Bis[2-[bis(3-methyl-2-butenyl)amino]ethyl]-1-naphthaleneacetonitrile1-Naphthaleneacetonitrile, α,α-bis[2-[bis(3-methyl-2-buten-1-yl)amino]ethyl]-
RefChem:199429DTXCID90121293NSC1847454-[bis(3-methylbut-2-en-1-yl)amino]-2-{2-[bis(3-methylbut-2-en-1-yl)amino]ethyl}-2-(naphthalen-1-yl)butanenitrile1-Naphthaleneacetonitrile,.alpha.-bis[2-[bis(3-methyl-2-butenyl)amino]ethyl]-
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 807
Physicochemical properties
- Boiling point
- 644.4 · 644.4±55.0 °C(Predicted)
- Density
- 0.982 · 0.982±0.06 g/cm3(Predicted)
- pka
- 8.34 · 8.34±0.50(Predicted)
- FDA UNII
- 8 O9HA66 · HUT8O9HA66
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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