Cephalocyclidin A supplier | CasNO.421583-14-4

Name
Cephalocyclidin A
EINECS
CAS No. 421583-14-4
Density 1.675 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₉NO₅
Boiling Point 545.75 °C at 760 mmHg
Molecular Weight 317.3
Flash Point 283.86 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cephalocyclidin A;CephalocyclidineA;8H-11,5,10a-[1]Propanyl[3]ylidene-6H-1,3-dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine-5,13,14(11H)-triol, 9,10-dihydro-, (5S,10aR,11S,13S,14R,15R)- (9CI)
PSA 82.39000
LogP -0.16220

Cephalocyclidin A Specification

The Cephalocyclidin A is an organic compound with the formula C₁₇H₁₉NO₅. With the CAS registry number 421583-14-4, its molecular Weight is 317.3.

Physical properties about Cephalocyclidin A are: (1)ACD/LogP: 1.01; (2)ACD/LogD (pH 5.5): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 20; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 82.39 Å²; (11)Index of Refraction: 1.779; (12)Molar Refractivity: 79.357 cm³; (13)Molar Volume: 189.404 cm³; (14)Polarizability: 31.459×10^-24cm³; (15)Surface Tension: 96.763 dyne/cm; (16)Density: 1.675 g/cm³; (17)Flash Point: 283.86 °C; (18)Enthalpy of Vaporization: 86.788 kJ/mol; (19)Boiling Point: 545.75 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]6C1[C@@]4(O)CN2CCC[C@@]12[C@H](c3cc5OCOc5cc34)[C@@H]6O
(2)InChI: InChI=1/C17H19NO5/c19-13-12-8-4-10-11(23-7-22-10)5-9(8)17(21)6-18-3-1-2-16(12,18)15(17)14(13)20/h4-5,12-15,19-21H,1-3,6-7H2/t12-,13+,14+,15?,16-,17-/m1/s1
(3)InChIKey: HZSAQOVOGNCGNL-KITIHYDIBJ
(4)Std. InChI: InChI=1S/C17H19NO5/c19-13-12-8-4-10-11(23-7-22-10)5-9(8)17(21)6-18-3-1-2-16(12,18)15(17)14(13)20/h4-5,12-15,19-21H,1-3,6-7H2/t12-,13+,14+,15?,16-,17-/m1/s1
(5)Std. InChIKey: HZSAQOVOGNCGNL-KITIHYDISA-N

Product Name

Cephalocyclidin A

Cephalocyclidin A Specification

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