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Cas Database |
| Name |
3,5,1,7-[1,2,3,4]Butanetetraylnaphthalene,decahydro- |
EINECS | N/A |
| CAS No. | 2292-79-7 | Density | 1.092 g/cm3 |
| PSA | 0.00000 | LogP | 3.32460 |
| Solubility | N/A | Melting Point |
236-237° |
| Formula | C14H20 | Boiling Point | 269.5 °C at 760 mmHg |
| Molecular Weight | 188.313 | Flash Point | 98.1 °C |
| Transport Information | N/A | Appearance | white powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Congressane;Decahydro-3,5,1,7-[1,2,3,4]butanetetraylnaphthalene;Diadamantane;Diamantane;Pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;[6]Diadamantane; |
Article Data | 21 |
3,5,1,7-[1,2,3,4]Butanetetraylnaphthalene,decahydro- Synthetic route
- 30545-28-9
3-methyldiamantane
- 2292-79-7
diamantane
| Conditions | Yield |
|---|---|
| With hydrogen; aluminum oxide; nickel at 215℃; under 760 Torr; for 5.5h; | 100% |
- 2292-79-7
diamantane
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; trifluorormethanesulfonic acid In 1,1,2-Trichloro-1,2,2-trifluoroethane at -78 - 20℃; for 18h; | 99% |
- 75500-94-6, 77122-04-4, 116347-56-9
(+/-)-D3-tritwistane
- 2292-79-7
diamantane
| Conditions | Yield |
|---|---|
| With aluminum tri-bromide In carbon disulfide for 5h; Ambient temperature; | 94% |
- 51966-18-8
tetrahydrobinor-S
- 2292-79-7
diamantane
| Conditions | Yield |
|---|---|
| With aluminum tri-bromide; isopropyl alcohol In cyclohexane at 25 - 50℃; for 4h; Product distribution / selectivity; | 81% |
| With aluminum tri-bromide; ethanol In cyclohexane at 25 - 50℃; for 4h; Product distribution / selectivity; | 80% |
| With aluminum tri-bromide; sulfuric acid In cyclohexane at 25 - 40℃; for 3h; Product distribution / selectivity; | 78% |
- 127-18-4
1,1,2,2-tetrachloroethylene
- 105522-49-4
diamantane-3-spiro-3'-diazirine
A
- 2292-79-7
diamantane
B
- 30545-23-4
diamantane-3-one
| Conditions | Yield |
|---|---|
| With sulfuric acid | A 29.7% B 64% |
- 75-35-4
1,1-Dichloroethylene
- 105522-49-4
diamantane-3-spiro-3'-diazirine
A
- 2292-79-7
diamantane
B
- 30545-23-4
diamantane-3-one
C
- 30545-19-8
diamantan-1-ol
D
- 105522-50-7
(3-diamantyl)acetic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid Further byproducts given; | A 6.9% B 7.4% C 60.2% D 19.05% |
| With sulfuric acid Further byproducts given; | A 18.8% B 24% C 24.2% D 4.2% |
- 130504-29-9
4-hydroxy-12-hydroxymethyltetracyclo<7.3.1.02,7.06,11>tridecane
A
- 2292-79-7
diamantane
B
- 30545-23-4
diamantane-3-one
C
- 30545-24-5
3-hydroxydiamantane
D
- 132658-78-7
2-methyl-3-oxadiamantane
| Conditions | Yield |
|---|---|
| With phosphoric acid at 180℃; for 2h; Further byproducts given; | A 7% B 2% C 3% D 57% |
- 130504-29-9
4-hydroxy-12-hydroxymethyltetracyclo<7.3.1.02,7.06,11>tridecane
A
- 2292-79-7
diamantane
B
- 30545-24-5
3-hydroxydiamantane
C
- 127494-76-2
10-oxa-2(3)-homodiamantane
D
- 132658-78-7
2-methyl-3-oxadiamantane
| Conditions | Yield |
|---|---|
| With phosphoric acid at 180℃; for 2h; Further byproducts given; | A 7% B 3% C 20% D 57% |
- 127-18-4
1,1,2,2-tetrachloroethylene
- 105522-49-4
diamantane-3-spiro-3'-diazirine
A
- 2292-79-7
diamantane
B
- 30545-23-4
diamantane-3-one
C
- 30545-19-8
diamantan-1-ol
| Conditions | Yield |
|---|---|
| With sulfuric acid | A 49.9% B 36.6% C 5% |
- 79-01-6
Trichloroethylene
- 105522-49-4
diamantane-3-spiro-3'-diazirine
A
- 2292-79-7
diamantane
B
- 32401-16-4
1-chlorodiamantane
C
- 30545-23-4
diamantane-3-one
D
- 30651-01-5
3-chlorodiamantane
| Conditions | Yield |
|---|---|
| With sulfuric acid Further byproducts given; | A 24.7% B 12.7% C 37% D 17% |
| With sulfuric acid Further byproducts given; | A 22% B 7.6% C 37.3% D 24% |
| With sulfuric acid for 3h; Further byproducts given; | A 24.7% B 12.7% C 37% D 17% |
3,5,1,7-[1,2,3,4]Butanetetraylnaphthalene,decahydro- Specification
The 3,5,1,7-[1,2,3,4]Butanetetraylnaphthalene,decahydro- is an organic compound with the formula C14H20. The systematic name of this chemical is 3,5,1,7-(1,2,3,4)Butanetetraylnaphthalene, decahydro-. With the CAS registry number 2292-79-7, it is also named as diamantane. The product's category is Adamantane Derivatives.
Physical properties about 3,5,1,7-[1,2,3,4]Butanetetraylnaphthalene,decahydro- are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.06; (4)ACD/LogD (pH 7.4): 5.06; (5)ACD/BCF (pH 5.5): 4114.37; (6)ACD/BCF (pH 7.4): 4114.37; (7)ACD/KOC (pH 5.5): 13449.67; (8)ACD/KOC (pH 7.4): 13449.67; (9)Index of Refraction: 1.572; (10)Molar Refractivity: 56.77 cm3; (11)Molar Volume: 172.4 cm3; (12)Polarizability: 22.5×10-24cm3; (13)Surface Tension: 40.6 dyne/cm; (14)Density: 1.092 g/cm3; (15)Flash Point: 98.1 °C; (16)Enthalpy of Vaporization: 48.71 kJ/mol; (17)Boiling Point: 269.5 °C at 760 mmHg; (18)Vapour Pressure: 0.012 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1C5CC2C3C(C4C1C2CC(C3)C4)C5
(2)InChI: InChI=1/C14H20/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8/h7-14H,1-6H2
(3)InChIKey: ZICQBHNGXDOVJF-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C14H20/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8/h7-14H,1-6H2
(5)Std. InChIKey: ZICQBHNGXDOVJF-UHFFFAOYSA-N
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