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Cas Database |
| Name |
Propanenitrile,3-[[3-(4-morpholinyl)propyl]amino]- |
EINECS | N/A |
| CAS No. | 102440-39-1 | Density | 1.015 g/cm3 |
| PSA | 48.29000 | LogP | 0.54078 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H19N3O | Boiling Point | 355.713 °C at 760 mmHg |
| Molecular Weight | 197.28 | Flash Point | 168.93 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:Irritant; |
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| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
Propionitrile,3-[(3-morpholinopropyl)amino]- (6CI);3-[(3-Morpholinopropyl)amino]propionitrile; |
Article Data | 3 |
Propanenitrile,3-[[3-(4-morpholinyl)propyl]amino]- Specification
The IUPAC name of Propanenitrile,3-[[3-(4-morpholinyl)propyl]amino]- is 3-(3-morpholin-4-ylpropylamino)propanenitrile. With the CAS registry number 102440-39-1, it is also named as Propionitrile,3-[(3-morpholinopropyl)amino]- (6CI). In addition, its molecular formula is C10H19N3O and its molecular weight is 197.28.
The other characteristics of Propanenitrile,3-[[3-(4-morpholinyl)propyl]amino]- can be summarized as: (1) # of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 48.29 Å2; (10)Index of Refraction: 1.478; (11)Molar Refractivity: 54.985 cm3; (12)Molar Volume: 194.358 cm3; (13)Polarizability: 21.798×10-24cm3; (14)Surface Tension: 38.868 dyne/cm; (15)Density: 1.015 g/cm3; (16)Flash Point: 168.93 °C; (17)Enthalpy of Vaporization: 60.089 kJ/mol; (18)Boiling Point: 355.713 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: C1COCCN1CCCNCCC#N
(2)InChI: InChI=1/C10H19N3O/c11-3-1-4-12-5-2-6-13-7-9-14-10-8-13/h12H,1-2,4-10H2
(3)InChIKey: DLHVNVSLZVDSRJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H19N3O/c11-3-1-4-12-5-2-6-13-7-9-14-10-8-13/h12H,1-2,4-10H2
(5)Std. InChIKey: DLHVNVSLZVDSRJ-UHFFFAOYSA-N
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