Basic information
- CAS
31148-95-5- Standard SMILES
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C#N)CCC[C@]21C- InChIKey
KSODEYYYINEFHT-SLFFLAALSA-N- Molecular formula
- C20H27N
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.21434987
Names & identifiers
- Preferred name
- 1-Phenanthrenecarbonitrile, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
- IUPAC
- (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile
- English name
- [1R-(alpha,4abeta,10aalpha)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carbonitrile
- Molecular formula
- C20H27N
- Molecular weight
- 281.44
Names & synonyms
DTXSID408854941-Phenanthrenecarbonitrile, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-RefChem:435431DTXCID201024869DehydroabietylnitrileDehydroabietonitrile31148-95-5Podocarpa-8,13-triene-15-nitrile, 13-isopropyl-1-Phenanthrenecarbonitrile,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-NSC2954KSODEYYYINEFHT-SLFFLAALSA-NNSC-2954
Show more names
Dehydro abietyl nitrile(1R)-1,2,3,4,4a,9,10,10aα-Octahydro-1,4aβ-dimethyl-7-isopropyl-1α-phenanthrenecarbonitrile[1R-(alpha,4abeta,10aalpha)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carbonitrile
NSC146197NSC-146197
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Boiling point
- 220 · 220-224 °C(Press: 10 Torr)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1-Phenanthrenecarbonitrile, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- (31148-95-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Phenanthrenecarbonitrile, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-: INACTIVE
Suppliers2 total
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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