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Name
(5-Amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone
- EINECS 604-243-9
- CAS No. 141644-91-9
- Article Data19
- CAS DataBase
- Density 1.066 g/cm3
- Solubility
- Melting Point
- Formula C30H42N2O3
- Boiling Point 630.151 °C at 760 mmHg
- Molecular Weight 478.675
- Flash Point 334.904 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2-Butyl-3-(4-(3-dibutylaminopropoxy)benzoyl)-5-aminobenzofuran;
- PSA 68.70000
- LogP 7.84090
(5-Amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone Specification
The 2-Butyl-3-(4-(3-dibutylaminopropoxy)benzoyl)-5-aminobenzofuran, with the CAS registry number 141644-91-9, is also known as Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-. This chemical's molecular formula is C30H42N2O3 and molecular weight is 478.67. What's more, its systematic name is (5-Amino-2-butyl-1-benzofuran-3-yl){4-[3-(dibutylamino)propoxy]phenyl}methanone.
Physical properties about 2-Butyl-3-(4-(3-dibutylaminopropoxy)benzoyl)-5-aminobenzofuran are: (1)ACD/LogP: 7.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 301; (6)ACD/BCF (pH 7.4): 3291; (7)ACD/KOC (pH 5.5): 283; (8)ACD/KOC (pH 7.4): 3088; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 68.7 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 145.968 cm3; (15)Molar Volume: 448.893 cm3; (16)Polarizability: 57.866×10-24 cm3; (17)Surface Tension: 42.615 dyne/cm; (18)Density: 1.066 g/cm3; (19)Flash Point: 334.904 °C; (20)Enthalpy of Vaporization: 93.21 kJ/mol; (21)Boiling Point: 630.151 °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=C(c1c2cc(ccc2oc1CCCC)N)c3ccc(OCCCN(CCCC)CCCC)cc3
(2) InChI: InChI=1/C30H42N2O3/c1-4-7-11-28-29(26-22-24(31)14-17-27(26)35-28)30(33)23-12-15-25(16-13-23)34-21-10-20-32(18-8-5-2)19-9-6-3/h12-17,22H,4-11,18-21,31H2,1-3H3
(3) InChIKey: SPIIBUQYWNFELT-UHFFFAOYAX
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