CAS No.115388-93-7,H-PRO-AMC HBR Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	115388-93-7
Name:	H-PRO-AMC HBR

Formula:	C₁₅H₁₆N₂O₃.BrH
Molecular Weight:	353.21
Synonyms:	2-Pyrrolidinecarboxamide,N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, monohydrobromide, (2S)- (9CI);2-Pyrrolidinecarboxamide, N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,monohydrobromide, (S)-;
Boiling Point:	532 °C at 760 mmHg
Flash Point:	275.5 °C
Solubility:	Insoluble in water
Appearance:	colorless - off-white Powder
Safety:	24/25
PSA:	71.34000
LogP:	3.15180

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Specification

The 2-Pyrrolidinecarboxamide,N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1), (2S)-, with its CAS registry number 115388-93-7, has the IUPAC name of (2S)-N-(4-methyl-2-oxochromen-7-yl)pyrrolidin-1-ium-2-carboxamide. Besides, this chemical has the molecular foumula of C₁₅H₁₆N₂O₃.BrH and the molecular weight of 353.21. In addition, it belongs to the product categories which include Activity; Enzyme Substrates; Fluorogenic. When you are using it, avoid contacting with skin and eyes. When you store it, you should keep it in the dry and well-ventilated place with the temperature of -20 °C, away from the strong acid and strong base, and this chemical will not decompose if follow the using and storage specifications.

The characteristics of 2-Pyrrolidinecarboxamide,N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide are as follows: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.59; (4)ACD/LogD (pH 7.4): -0.21; (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): 3.52; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.85 Å²; (13)Flash Point: 275.5 °C; (14)Enthalpy of Vaporization: 80.76 kJ/mol; (15)Boiling Point: 532 °C at 760 mmHg; (16)Vapour Pressure: 2.13E-11 mmHg at 25°C; (17)Exact Mass: 273.123917; (18)MonoIsotopic Mass: 273.123917; (19)Topological Polar Surface Area: 72; (20)Heavy Atom Count: 20; (21)Formal Charge: 1; (22)Defined Atom StereoCenter Count: 1; (23)Covalently-Bonded Unit Count: 1; (24)Feature 3D Acceptor Count: 2; (25)Feature 3D Donor Count: 2; (26)Feature 3D Cation Count: 1; (27)Feature 3D Ring Count: 3.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3CCC[NH2+]3
(2)Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H]3CCC[NH2+]3
(3)InChI: InChI=1S/C15H16N2O3/c1-9-7-14(18)20-13-8-10(4-5-11(9)13)17-15(19)12-3-2-
6-16-12/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,19)/p+1/t12-/m0/s1
(4)InChIKey: HSLXTZWJAHQHHF-LBPRGKRZSA-O