L-SERINE 7-AMIDO-4-METHYLCOUMARIN HYDROCHLORIDE

The Propanamide,2-amino-3-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, monohydrochloride,(2S)- (9CI), with its CAS registry number 115918-60-0, has the systematic name of N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-serinamide hydrochloride. For being a kind of white to off-white crystalline powder, it should be kept at -20°C. And it belongs to the product categories which include Activity; Enzyme Substrates; Fluorogenic. When you are using it, avoid contacting with skin and eyes. When store it, you should keep it in the cool, dry and well-ventilated place, and this chemical will not decompose if follow the using and storage specifications.

The characteristics of Propanamide,2-amino-3-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, monohydrochloride,(2S)- (9CI) are as follows: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.77; (4)ACD/LogD (pH 7.4): -0.22; (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): 13.56; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 59.08 Ų; (13)Flash Point: 312.5 °C; (14)Enthalpy of Vaporization: 93 kJ/mol; (15)Boiling Point: 593.1 °C at 760 mmHg; (16)Vapour Pressure: 6.53E-15 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Cl.O=C(Nc2ccc\1c(OC(=O)/C=C/1C)c2)[C@@H](N)CO
(2)InChI:InChI=1/C13H14N2O4.ClH/c1-7-4-12(17)19-11-5-8(2-3-9(7)11)15-13(18)10(14)6-16;/h2-5,10,16H,6,14H2,1H3,(H,15,18);1H/t10-;/m0./s1
(3)InChIKey:RUMJTWWLPLESCZ-PPHPATTJBU
(4)Std. InChI:InChI=1S/C13H14N2O4.ClH/c1-7-4-12(17)19-11-5-8(2-3-9(7)11)15-13(18)10(14)6-16;/h2-5,10,16H,6,14H2,1H3,(H,15,18);1H/t10-;/m0./s1
(5)Std. InChIKey:RUMJTWWLPLESCZ-PPHPATTJSA-N