2H-1-Benzopyran-2-one, 4-(aminomethyl)-6,7-dimethoxy- supplier

Name
4-(Aminomethyl)-6,7-dimethoxycoumarin
EINECS
CAS No. 849042-47-3
Density 1.252 g/cm³
Solubility
Melting Point 133-136°C
Formula C₁₂H₁₃NO₄
Boiling Point 413.1 °C at 760 mmHg
Molecular Weight 235.24
Flash Point 214.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(AMinoMethyl)-6,7-diMethoxy-2H-1-benzopyran-2-one;2H-1-Benzopyran-2-one, 4-(aminomethyl)-6,7-dimethoxy-
PSA 74.69000
LogP 1.96920

2H-1-Benzopyran-2-one, 4-(aminomethyl)-6,7-dimethoxy- Specification

The 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6,7-dimethoxy- has CAS registry number 849042-47-3. This chemical's molecular formula is C₁₂H₁₃NO₄ and molecular weight is 235.24. What's more, its systematic name is 4-(Aminomethyl)-6,7-dimethoxy-2H-chromen-2-one.

Physical properties of 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6,7-dimethoxy- are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.88; (4)ACD/LogD (pH 7.4): -0.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.85; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 61.34 cm³; (15)Molar Volume: 187.8 cm³; (16)Polarizability: 24.32×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.252 g/cm³; (19)Flash Point: 214.3 °C; (20)Enthalpy of Vaporization: 66.58 kJ/mol; (21)Boiling Point: 413.1 °C at 760 mmHg; (22)Vapour Pressure: 4.92E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(OC)c(OC)cc1\C(=C\2)CN
(2)Std. InChI: InChI=1S/C12H13NO4/c1-15-10-4-8-7(6-13)3-12(14)17-9(8)5-11(10)16-2/h3-5H,6,13H2,1-2H3
(3)Std. InChIKey: AXXVGQYUBHDGBK-UHFFFAOYSA-N

Product Name

4-(Aminomethyl)-6,7-dimethoxycoumarin

2H-1-Benzopyran-2-one, 4-(aminomethyl)-6,7-dimethoxy- Specification

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