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| CAS No.: | 136370-46-2 |
|---|---|
| Name: | (S)-Propane-1,2-diamine sulfate |
| Molecular Structure: | |
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| Formula: | C3H10N2.H2SO4 |
| Molecular Weight: | 270.285 |
| Synonyms: | (S)-(+)-1,2-DIAMINOPROPANE SULFATE;(S)-1,2-DIAMINOPROPANE SULFATE;S-DAP-S;(S)-Propane-1,2-diamine sulfate |
| Boiling Point: | 388.9 °C at 760 mmHg |
| Flash Point: | 189 °C |
| PSA: | 135.02000 |
| LogP: | 1.12090 |
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Specification
The (S)-Propane-1,2-diamine sulfate is an organic compound with the formula C3H10N2.H2SO4. The systematic name of this chemical is (2S)-propane-1,2-diamine sulfate. With the CAS registry number 136370-46-2, it is also named as 1,2-propanediamine, (2S)-, sulfate (1:1).
Physical properties about (S)-Propane-1,2-diamine sulfate are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 6; (3)#H bond donors: 6; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 135.02 Å2; (6)Flash Point: 189 °C; (7)Enthalpy of Vaporization: 70.06 kJ/mol; (8)Boiling Point: 388.9 °C at 760 mmHg; (9)Vapour Pressure: 3.93E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)(1)SMILES: N[C@@H](C)CN.OS(O)(=O)=O
(2)InChI: InChI=1/C3H10N2.H2O4S/c1-3(5)2-4;1-5(2,3)4/h3H,2,4-5H2,1H3;(H2,1,2,3,4)/t3-;/m0./s1
(3)InChIKey: VFDQRKYOFLFZPW-DFWYDOINBV
(4)Std. InChI: InChI=1S/C3H10N2.H2O4S/c1-3(5)2-4;1-5(2,3)4/h3H,2,4-5H2,1H3;(H2,1,2,3,4)/t3-;/m0./s1
(5)Std. InChIKey: VFDQRKYOFLFZPW-DFWYDOINSA-N