Specification: |
This chemical is called L-Alanine hydrochloride, and it can also be named as a-Alanine hydrochloride. With the CAS registry number of 6003-05-0, its IUPAC name is (2S)-2-aminopropanoic acid hydrochloride. Usually, the molecular formula of this chemical is C3H8ClNO2, and its molecular weight is 125.55. In addition, the product categories of the L-Alanine hydrochloride is AA to ALLife Sciences Standards; A; Alphabetic; Amino Acids; Amino Acids, Peptides and Proteins. And this chemical should be stored at the temperature of 2-8°C.
Other characteristics of the L-Alanine hydrochloride can be summarised as followings: (1)ACD/LogP: -0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.18; (4)ACD/LogD (pH 7.4): -3.18; (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; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Flash Point: 82.6 °C; (14)Enthalpy of Vaporization: 49.5 kJ/mol; (15)Boiling Point: 212.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0661 mmHg at 25°C; (17)Rotatable Bond Count: 1; (18)Topological Polar Surface Area: 63.3; (19)Heavy Atom Count: 7; (20)Complexity: 61.8; (21)Isotope Atom Count: 0; (22)Defined Atom StereoCenter Count: 1; (23)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)[C@@H](N)C
(2)InChI: InChI=1/C3H7NO2.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H/t2-;/m0./s1
(3)InChIKey: ILYVXUGGBVATGA-DKWTVANSBI
(4)Std. InChI: InChI=1S/C3H7NO2.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H/t2-;/m0./s1
(5)Std. InChIKey: ILYVXUGGBVATGA-DKWTVANSSA-N
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