Allomatrine supplier | CasNO.641-39-4

Name
ALLOMATRINE
EINECS
CAS No. 641-39-4
Article Data2
CAS DataBase
Density 1.164 g/cm³
Solubility
Melting Point 106-107 °C
Formula C₁₅H₂₄N₂O
Boiling Point 396.738 °C at 760 mmHg
Molecular Weight 248.36
Flash Point 172.748 °C
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Hazard Symbols
Synonyms Allomatrine(6CI,7CI,8CI);Matridin-15-one, (6b)-;(+)-6-Allomatrine;(+)-Allomatrine;1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, dodecahydro-,[7aS-(7aa,13ab,13ba,13cb)]-;6-Allomatrine;6b-Matrine;Tetrahydroisosophoramine;
PSA 66.84000
LogP 2.22390

Allomatrine Specification

The Allomatrine, with the CAS registry number 641-39-4, is also known as Tetrahydroisosophoramine. This chemical's molecular formula is C₁₅H₂₄N₂O and molecular weight is 248.36. What's more, its systematic name is (6β)-Matridin-15-one.

Physical properties of Allomatrine are: (1)ACD/LogP: 2.922; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.10; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.21; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 11.43; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 71.122 cm³; (15)Molar Volume: 213.357 cm³; (16)Polarizability: 28.195×10^-24cm³; (17)Surface Tension: 48.33 dyne/cm; (18)Density: 1.164 g/cm³; (19)Flash Point: 172.748 °C; (20)Enthalpy of Vaporization: 64.708 kJ/mol; (21)Boiling Point: 396.738 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4N1[C@@H]([C@H]3CCCN2CCC[C@@H](C1)[C@@H]23)CCC4
(2)Std. InChI: InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15+/m0/s1
(3)Std. InChIKey: ZSBXGIUJOOQZMP-KYEXWDHISA-N

Product Name

ALLOMATRINE

Allomatrine Specification

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