(4aS)-2,2,4a,7,7-pentamethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine
Basic information
- CAS
69340-58-5- Standard SMILES
CC1(C)CC[C@]2(C)CCC(C)(C)NC2=N1- InChIKey
OEOPGVPCZRQSMQ-UHFFFAOYSA-N- Molecular formula
- C13H24N2
- Average molar mass
- 208.34 g/mol
- Monoisotopic mass
- 208.19394877
Overview
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Names & identifiers
- Preferred name
- (4aS)-2,2,4a,7,7-pentamethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine
- IUPAC
- (4aS)-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridine
- English name
- 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethylnaphthyridine
- Molecular formula
- C13H24N2
- Molecular weight
- 208.34
Names & synonyms
STL525069AKOS037494032(4aS)-2,2,4a,7,7-pentamethyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridinePMDBD3,3,6,9,9-PENTAMETHYL-2,10-DIAZABICYCLO-(4.4.0)DEC-1-ENE3,3,6,9,9-PENTAMETHYL-2,10-DIAZABICYCLO- (4.4.0)DEC-1-ENE 96+%1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethylnaphthyridine2,3,4,4a,5,6,7,8-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine1,2,3,4,4a,5,6,7-octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine2,2,4a,7,7-Pentamethyl-1,2,3,4,4a,5,6,7-octahydro[1,8]naphthyridine1,8-Naphthyridine, 1,2,3,4,4a,5,6,7-octahydro-2,2,4a,7,7-pentamethyl-2,2,4a,7,7-Pentamethyl-2,3,4,4a,5,6,7,8-octahydropyrido[2,3-b]pyridine
Show more names
1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethylnaphthyridine, PMDBD
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Density
- 0.924 g/mL · 0.924 g/mL at 20 °C(lit.)
- Flash point
- 96 °C · 96 °C
- form
- liquid
- BRN
- 779556 · 779556
- InChI
- 1S/C13H24N2/c1-11(2)6-8-13(5)9-7-12(3,4)15-10(13)14-11/h6-9H2,1-5H3,(H,14,15)
- InChIKey
- OEOPGVPCZRQSMQ-UHFFFAOYSA-N
- SMILES
- CC1(C)CCC2(C)CCC(C)(C)N=C2N1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · 3
- F
- 2 · 2-10-21
- Storage Class
- 10 · 10 - Combustible liquids
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
- F
- 2-10-21
- PPE
- Eyeshields, Gloves
- wgk
- 3
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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