Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Androst-4-en-3-one |
EINECS | N/A |
CAS No. | 10247-98-0 | Density | 1.05 g/cm3 |
PSA | 17.07000 | LogP | 4.90840 |
Solubility | N/A | Melting Point |
116-120 °C |
Formula | C19H28O | Boiling Point | 390.6 °C at 760 mmHg |
Molecular Weight | 272.431 | Flash Point | 180.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,7,8,10,11,12,13,15,16,17-decahydro-10,13-dimethyl-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one; |
Article Data | 8 |
The CAS register number of Androst-4-en-3-one is 10247-98-0. It also can be called as 1,7,8,10,11,12,13,15,16,17-decahydro-10,13-dimethyl-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one and the systematic name about this chemical is androst-4-en-3-one. The molecular formula about this chemical is C19H28O and molecular weight is 272.42.
Physical properties about Androst-4-en-3-one are: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)Polar Surface Area: 17.07Å2; (5)Index of Refraction: 1.542; (6)Molar Refractivity: 81.6 cm3; (7)Molar Volume: 258.9 cm3; (8)Polarizability: 32.34x10-24cm3; (9)Surface Tension: 39.3 dyne/cm; (10)Enthalpy of Vaporization: 64.01 kJ/mol; (11)Boiling Point: 390.6 °C at 760 mmHg; (12)Vapour Pressure: 2.61E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@]([C@H]1CC[C@@]3(CCC[C@H]3[C@@H]1CC2)C)(C)CC4
(2)InChI: InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
(3)InChIKey: MSEZLHAVPJYYIQ-VMXHOPILBL
(4)Std. InChI: InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
(5)Std. InChIKey: MSEZLHAVPJYYIQ-VMXHOPILSA-N