4-Butylamino-chromen-2-one supplier

Name
4-Butylamino-chromen-2-one ,97%
EINECS
CAS No. 21315-46-8
Article Data6
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅NO₂
Boiling Point 377.9 °C at 760 mmHg
Molecular Weight 217.27
Flash Point 182.3 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms 4-(Butylamino)-2H-chromen-2-one;2H-1-Benzopyran-2-one, 4-(butylamino)-;4-(Butylamino)chromen-2-one;
PSA 42.24000
LogP 3.07800

4-Butylamino-chromen-2-one Specification

This chemical is called 4-Butylamino-chromen-2-one, and it can also be named as 2H-1-Benzopyran-2-one, 4-(butylamino)-. With the molecular formula of C₁₃H₁₅NO₂, its molecular weight is 217.27. The CAS registry number of this chemical is 21315-46-8, and its systematic name is 4-(butylamino)-2H-chromen-2-one.

Other characteristics of the 4-Butylamino-chromen-2-one can be summarised as followings: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 151; (6)ACD/BCF (pH 7.4): 154.49; (7)ACD/KOC (pH 5.5): 1254.48; (8)ACD/KOC (pH 7.4): 1283.45; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 62.3 cm³; (15)Molar Volume: 190.1 cm³; (16)Polarizability: 24.69×10^-24cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 182.3 °C; (20)Enthalpy of Vaporization: 62.57 kJ/mol; (21)Boiling Point: 377.9 °C at 760 mmHg; (22)Vapour Pressure: 6.55E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C/2Oc1ccccc1\C(=C\2)NCCCC
2.InChI: InChI=1/C13H15NO2/c1-2-3-8-14-11-9-13(15)16-12-7-5-4-6-10(11)12/h4-7,9,14H,2-3,8H2,1H3
3.InChIKey: YPFALCOQVSMNOG-UHFFFAOYAQ

Product Name

4-Butylamino-chromen-2-one ,97%

4-Butylamino-chromen-2-one Specification

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