3-CHLORO-L-ALANINE

The Alanine, 3-chloro-, with CAS registry number 13215-35-5, belongs to the following product categories: (1)Alphabetical Listings; (2)CStable Isotopes; (3)Metabolic Research; (4)Other; (5)Stable Isotopes. It has the systematic name of 3-chloroalanine. This chemical should be stored at the temperature of −20°C. And the chemical formula of this chemical is C₃H₆ClNO₂.

Physical properties of Alanine, 3-chloro-: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.62; (4)ACD/LogD (pH 7.4): -2.79; (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: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 25.85 cm³; (15)Molar Volume: 88.1 cm³; (16)Polarizability: 10.24×10^-24cm³; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.401 g/cm³; (19)Flash Point: 101.1 °C; (20)Enthalpy of Vaporization: 52.93 kJ/mol; (21)Boiling Point: 243.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0105 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Alanine, 3-chloro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(N)C(=O)O
(2)InChI: InChI=1/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)
(3)InChIKey: ASBJGPTTYPEMLP-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)
(5)Std. InChIKey: ASBJGPTTYPEMLP-UHFFFAOYSA-N