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| CAS No.: | 135558-11-1 |
|---|---|
| Name: | LOBAPLATIN |
| Molecular Structure: | |
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| Formula: | C9H18N2O3Pt |
| Molecular Weight: | 397.334 |
| Synonyms: | d19466;Lobaplatin (D-19466) |
| EINECS: | 604-604-1 |
| Melting Point: | 220° (dec) |
| Boiling Point: | 179.5 °C at 760 mmHg |
| Flash Point: | 75.1 °C |
| PSA: | 75.27000 |
| LogP: | 0.53800 |
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- Total:29 Page 1 of 1 1
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Specification
The Lobaplatin is an organic compound with the formula C9H18N2O3Pt. The IUPAC name of this chemical is [2-(aminomethyl)cyclobutyl]methanamine; 2-oxidopropanoate; platinum(2+). With the CAS registry number 135558-11-1, it is also named as Lobaplatinum.
Physical properties about Lobaplatin are: (1)ACD/LogP: -0.49; (2)ACD/LogD (pH 5.5): -4.59; (3)ACD/LogD (pH 7.4): -4.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 6.48 Å2; (12)Flash Point: 75.1 °C; (13)Enthalpy of Vaporization: 41.58 kJ/mol; (14)Boiling Point: 179.5 °C at 760 mmHg; (15)Vapour Pressure: 0.937 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Pt+2].O=C([O-])C([O-])C.NCC1CCC1CN
(2)InChI: InChI=1/C6H14N2.C3H5O3.Pt/c7-3-5-1-2-6(5)4-8;1-2(4)3(5)6;/h5-6H,1-4,7-8H2;2H,1H3,(H,5,6);/q;-1;+2/p-1
(3)InChIKey: RLXPIABKJFUYFG-REWHXWOFAX
(4)Std. InChI: InChI=1S/C6H14N2.C3H5O3.Pt/c7-3-5-1-2-6(5)4-8;1-2(4)3(5)6;/h5-6H,1-4,7-8H2;2H,1H3,(H,5,6);/q;-1;+2/p-1
(5)Std. InChIKey: RLXPIABKJFUYFG-UHFFFAOYSA-M