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CAS No.: | 395116-70-8 |
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Name: | BENZYLDI-1-ADAMANTYLPHOSPHINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C27H37P |
Molecular Weight: | 392.565 |
Synonyms: | Bis(adamant-1-yl)(benzyl)phosphine;CataCXium ABn; |
EINECS: | 1312995-182-4 |
Melting Point: | 183°C |
Safety: | 24/25 |
PSA: | 13.59000 |
LogP: | 7.60610 |
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The Di(1-adamantyl)benzylphosphine with its cas register number is 395116-70-8. It also can be called as Phosphine,(phenylmethyl)bis(tricyclo[3.3.1.13,7]dec-1-yl)- and the Systematic name about this chemical is benzyl(ditricyclo[3.3.1.1~3,7~]dec-1-yl)phosphane. When you are using it, please avoid contact with skin and eyes.
Physical properties about Di(1-adamantyl)benzylphosphine are: (1)ACD/LogP: 8.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.36; (4)ACD/LogD (pH 7.4): 8.36; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 841081.5; (8)ACD/KOC (pH 7.4): 841081.5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 13.59Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1CP(C24CC3CC(C2)CC(C3)C4)C57CC6CC(CC(C5)C6)C7
(2)InChI: InChI=1/C27H37P/c1-2-4-19(5-3-1)18-28(26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25H,6-18H2
(3)InChIKey: ANIAFEJRWQDKDV-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C27H37P/c1-2-4-19(5-3-1)18-28(26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25H,6-18H2
(5)Std. InChIKey: ANIAFEJRWQDKDV-UHFFFAOYSA-N