This chemical is called Lysine, hydrate (1:1), and its systematic name is DL-Lysine monohydrate. With the molecular formula of C6H14N2O2.H2O, its molecular weight is 164.20. The CAS registry number of this chemical is 885701-25-7.
Other characteristics of the Lysine, hydrate (1:1) can be summarised as followings: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 5; (3)#H bond donors: 7; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 42.01 Å2; (6)Flash Point: 195.7 °C; (7)Enthalpy of Vaporization: 72.69 kJ/mol; (8)Boiling Point: 400 °C at 760 mmHg; (9)Vapour Pressure: 1.07E-07 mmHg at 25°C; (10)Rotatable Bond Count: 5; (11)Exact Mass: 164.116092; (12)MonoIsotopic Mass: 164.116092; (13)Topological Polar Surface Area: 90.3; (14)Heavy Atom Count: 11; (15)Formal Charge: 0; (16)Complexity: 106; (17)Isotope Atom Count: 0; (18)Defined Atom StereoCenter Count: 1; (19)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@@H](N)CCCCN.O
2.InChI: InChI=1/C6H14N2O2.H2O/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H2/t5-;/m0./s1
3.InChIKey: HZRUTVAFDWTKGD-JEDNCBNOBW
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