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21315-46-8

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Basic Information
CAS No.: 21315-46-8
Name: 4-Butylamino-chromen-2-one ,97%
Article Data: 6
Molecular Structure:
Molecular Structure of 21315-46-8 (4-Butylamino-chromen-2-one ,97%)
Formula: C13H15NO2
Molecular Weight: 217.27
Synonyms: 4-(Butylamino)-2H-chromen-2-one;2H-1-Benzopyran-2-one, 4-(butylamino)-;4-(Butylamino)chromen-2-one;
Density: 1.14 g/cm3
Boiling Point: 377.9 °C at 760 mmHg
Flash Point: 182.3 °C
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 42.24000
LogP: 3.07800
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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: 24.69×10-24 cm3; (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