Acetamide,2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1) CAS NO.113728-13-5

The Acetamide,2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1), with its CAS registry number 113728-13-5, has the systematic name of N-(4-methyl-2-oxo-2H-chromen-7-yl)glycinamide hydrobromide. And it has the molecular formula of C₁₂H₁₂N₂O₃.BrH and the molecular weight of 313.15. Besides, for being a kind of white to almost white powder, this chemical belongs to the product categories which include Activity; Enzyme Substrates; Fluorogenic. When store it, you should keep it sealed with desiccating agent in the cool, dry and well-ventilated place, away from oxidizer. And you should avoid contacting with skin and eyes while using this chemical.

The characteristics of Acetamide,2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1) are as follows: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -0.13; (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): 16.91; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.85 Ų; (13)Flash Point: 253.3 °C; (14)Enthalpy of Vaporization: 76.27 kJ/mol; (15)Boiling Point: 495.2 °C at 760 mmHg; (16)Vapour Pressure: 6.04E-10 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Br.O=C(Nc2ccc\1c(OC(=O)/C=C/1C)c2)CN
(2)InChI:InChI=1/C12H12N2O3.BrH/c1-7-4-12(16)17-10-5-8(2-3-9(7)10)14-11(15)6-13;/h2-5H,6,13H2,1H3,(H,14,15);1H 
(3)InChIKey:NNHMGPIGAMTPDU-UHFFFAOYAM 
(4)Std. InChI:InChI=1S/C12H12N2O3.BrH/c1-7-4-12(16)17-10-5-8(2-3-9(7)10)14-11(15)6-13;/h2-5H,6,13H2,1H3,(H,14,15);1H
(5)Std. InChIKey:NNHMGPIGAMTPDU-UHFFFAOYSA-N

The Acetamide,2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1), with its CAS registry number 113728-13-5, has the systematic name of N-(4-methyl-2-oxo-2H-chromen-7-yl)glycinamide hydrobromide. And it has the molecular formula of C₁₂H₁₂N₂O₃.BrH and the molecular weight of 313.15. Besides, for being a kind of white to almost white powder, this chemical belongs to the product categories which include Activity; Enzyme Substrates; Fluorogenic. When store it, you should keep it sealed with desiccating agent in the cool, dry and well-ventilated place, away from oxidizer. And you should avoid contacting with skin and eyes while using this chemical.

The characteristics of Acetamide,2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1) are as follows: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -0.13; (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): 16.91; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.85 Ų; (13)Flash Point: 253.3 °C; (14)Enthalpy of Vaporization: 76.27 kJ/mol; (15)Boiling Point: 495.2 °C at 760 mmHg; (16)Vapour Pressure: 6.04E-10 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Br.O=C(Nc2ccc\1c(OC(=O)/C=C/1C)c2)CN
(2)InChI:InChI=1/C12H12N2O3.BrH/c1-7-4-12(16)17-10-5-8(2-3-9(7)10)14-11(15)6-13;/h2-5H,6,13H2,1H3,(H,14,15);1H 
(3)InChIKey:NNHMGPIGAMTPDU-UHFFFAOYAM 
(4)Std. InChI:InChI=1S/C12H12N2O3.BrH/c1-7-4-12(16)17-10-5-8(2-3-9(7)10)14-11(15)6-13;/h2-5H,6,13H2,1H3,(H,14,15);1H
(5)Std. InChIKey:NNHMGPIGAMTPDU-UHFFFAOYSA-N