CAS No.141645-23-0,(2-Butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141645-23-0
Name:	(2-Butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone
Article Data:	16

Formula:	C₃₀H₄₀N₂O₅
Molecular Weight:	508.658
Synonyms:	2-Butyl-5-nitrobenzofuran-3-yl)(4-methoxyphenyl)methanone
EINECS:	444-800-1
Density:	1.109 g/cm³
Boiling Point:	638.148 °C at 760 mmHg
Flash Point:	339.74 °C
Appearance:	Off-white crystalline
PSA:	88.50000
LogP:	8.10890

Raw Materials

100-07-2

99-93-4

Downstream Products

141626-36-0

141644-91-9

Total:86 Page 1 of 3 1 2 3 Next>>

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Specification

The Methanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]- is an organic compound with the formula C₃₀H₄₀N₂O₅. The systematic name of this chemical is (2-butyl-5-nitro-1-benzofuran-3-yl){4-[3-(dibutylamino)propoxy]phenyl}methanone. With the CAS registry number 141645-23-0, it is also named as (2-Butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone.

Physical properties about Methanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]- are: (1)ACD/LogP: 8.73; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 1780; (6)ACD/BCF (pH 7.4): 19559; (7)ACD/KOC (pH 5.5): 1010; (8)ACD/KOC (pH 7.4): 11094; (9)#H bond acceptors: 7; (10)#Freely Rotating Bonds: 17; (11)Polar Surface Area: 88.5 Å²; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 148.277 cm3; (14)Molar Volume: 458.454 cm³; (15)Polarizability: 58.78×10^-24cm³; (16)Surface Tension: 43.38 dyne/cm; (17)Density: 1.109 g/cm³; (18)Flash Point: 339.74 °C; (19)Enthalpy of Vaporization: 94.254 kJ/mol; (20)Boiling Point: 638.148 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3cc1c(oc(c1C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)CCCC)cc3
(2)InChI: InChI=1/C30H40N2O5/c1-4-7-11-28-29(26-22-24(32(34)35)14-17-27(26)37-28)30(33)23-12-15-25(16-13-23)36-21-10-20-31(18-8-5-2)19-9-6-3/h12-17,22H,4-11,18-21H2,1-3H3
(3)InChIKey: YIYARJKYRBMMJG-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C30H40N2O5/c1-4-7-11-28-29(26-22-24(32(34)35)14-17-27(26)37-28)30(33)23-12-15-25(16-13-23)36-21-10-20-31(18-8-5-2)19-9-6-3/h12-17,22H,4-11,18-21H2,1-3H3
(5)Std. InChIKey: YIYARJKYRBMMJG-UHFFFAOYSA-N