125572-95-4

The CAS registry number of Glycine,N,N'-(1R,2R)-1,2-cyclohexanediylbis[N-(carboxymethyl)-, hydrate (1:1), rel- is 125572-95-4. In addition, the molecular formula is C₁₄H₂₂N₂O₈.H₂O and the molecular weight is 364.35. Its systematic name is 2,2',2'',2'''-[(1R,2R)-cyclohexane-1,2-diyldinitrilo]tetraacetic acid hydrate. What's more, it is a white fine crystalline powder and should be stored in a cool and dry place.

Physical properties about Glycine,N,N'-(1R,2R)-1,2-cyclohexanediylbis[N-(carboxymethyl)-, hydrate (1:1), rel- are: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.87; (4)ACD/LogD (pH 7.4): -5.31; (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: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 111.68 Ų; (13)Flash Point: 359.5 °C; (14)Enthalpy of Vaporization: 107.45 kJ/mol; (15)Boiling Point: 670.8 °C at 760 mmHg; (16)Vapour Pressure: 9.77E-20 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of 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: O=C(O)CN([C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O)CC(=O)O.O
(2)Std. InChI: InChI=1S/C14H22N2O8.H2O/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H2/t9-,10-;/m1./s1
(3)Std. InChIKey: VASZYFIKPKYGNC-DHTOPLTISA-N