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CAS No.: | 31796-55-1 |
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Name: | H-ALA-PNA HCL |
Molecular Structure: | |
Formula: | C9H11N3O3.HCl |
Molecular Weight: | 245.6629 |
Synonyms: | Propanamide,2-amino-N-(4-nitrophenyl)-, monohydrochloride, (2S)- (9CI);Propanamide,2-amino-N-(4-nitrophenyl)-, monohydrochloride, (S)-;Propionanilide,2-amino-4'-nitro-, monohydrochloride, L- (8CI);L-Alanine-4-nitroanilidehydrochloride;L-Alanine-p-nitroanilide hydrochloride; |
EINECS: | 250-811-0 |
Boiling Point: | 443.4 °C at 760 mmHg |
Flash Point: | 221.9 °C |
Solubility: | H2O: 50 mg/mL, clear, yellow |
Appearance: | Off white to pale yellowish powder |
Safety: | 22-24/25 |
PSA: | 100.94000 |
LogP: | 2.97900 |
The CAS register number of L-Alanine 4-nitroanilide hydrochloride is 31796-55-1. It also can be called as N1-(4-nitrophenyl)-(2S)-2-aminopropanamide hydrochloride and the IUPAC name about this chemical is (2S)-2-amino-N-(4-nitrophenyl)propanamide hydrochloride. The molecular formula about this chemical is C9H11N3O3.HCl and the molecular weight is 245.66. It belongs to the following product categories which include Activity; Chromogenic; Enzyme Substrates; Aminopeptidase; Substrates by Enzyme and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.
Physical properties about L-Alanine 4-nitroanilide hydrochloride are: (1)ACD/LogP: 0.42; (2)ACD/LogD (pH 5.5): -1.82; (3)ACD/LogD (pH 7.4): -0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 11.54; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 69.37Å2; (12)Flash Point: 221.9 °C; (13)Enthalpy of Vaporization: 70.1 kJ/mol; (14)Boiling Point: 443.4 °C at 760 mmHg; (15)Vapour Pressure: 4.67E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)[N+]([O-])=O)C(N)C.Cl
(2)InChI: InChI=1/C9H11N3O3.ClH/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15;/h2-6H,10H2,1H3,(H,11,13);1H
(3)InChIKey: YEXRLSXNWLNHQR-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H11N3O3.ClH/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15;/h2-6H,10H2,1H3,(H,11,13);1H
(5)Std. InChIKey: YEXRLSXNWLNHQR-UHFFFAOYSA-N