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| CAS No.: | 15170-74-8 |
|---|---|
| Name: | bis(DL-methioninato-N,O)copper |
| Molecular Structure: | |
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| Formula: | C10H20CuN2O4S2 |
| Molecular Weight: | 359.9528 |
| Synonyms: | NSC 314278;Copper,bis(DL-methioninato)- (7CI,8CI);DL-Methionine, copper(2+) salt (2:1);Copamin;DL-Methionine, copper complex;Copper, bis(DL-methioninato-N,O)-; |
| EINECS: | 239-224-0 |
| Boiling Point: | 306.9 °C at 760 mmHg |
| Flash Point: | 139.4 °C |
| PSA: | 127.26000 |
| LogP: | 0.99410 |
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Specification
The IUPAC name of Bis(DL-methioninato-N,O)copper is copper (1-carboxy-3-methylsulfanylpropyl)azanide. With the CAS registry number 15170-74-8 and EINECS 239-224-0, it is also named as Copper,bis(methioninato-kN,kO)- (9CI). In addition, the formula is C10H20CuN2O4S2 and the molecular weight is 359.9528.
The other characteristics of Bis(DL-methioninato-N,O)copper can be summarized as: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 63.63 Å2; (7)Flash Point: 139.4 °C; (8)Enthalpy of Vaporization: 60.21 kJ/mol; (9)Boiling Point: 306.9 °C at 760 mmHg; (10)Vapour Pressure: 0.00017 mmHg at 25°C; (11)Rotatable Bond Count: 8; (12)Exact Mass: 359.01605; (13)MonoIsotopic Mass: 359.01605; (14)Topological Polar Surface Area: 127; (15)Heavy Atom Count: 19; (16)Formal Charge: 0; (17)Complexity: 97; (18)Undefined Atom StereoCenter Count: 2; (19)Covalently-Bonded Unit Count: 3.
People can use the following data to convert to the molecule structure.
1. SMILES:[Cu+2].O=C(O)C([NH-])CCSC.O=C(O)C([NH-])CCSC
2. InChI:InChI=1/2C5H10NO2S.Cu/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q2*-1;+2
3. InChIKey:OGKRAMHEYIKPDE-UHFFFAOYAX
4. Std. InChI:InChI=1S/2C5H10NO2S.Cu/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q2*-1;+2
5. Std. InChIKey:OGKRAMHEYIKPDE-UHFFFAOYSA-N