-
Name
3-[(3-MORPHOLINOPROPYL)AMINO]PROPANENITRILE
- EINECS
- CAS No. 102440-39-1
- Article Data3
- CAS DataBase
- Density 1.015 g/cm3
- Solubility
- Melting Point
- Formula C10H19N3O
- Boiling Point 355.713 °C at 760 mmHg
- Molecular Weight 197.28
- Flash Point 168.93 °C
- Transport Information
- Appearance
- Safety
-
Risk Codes
Xi:Irritant;
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms Propionitrile,3-[(3-morpholinopropyl)amino]- (6CI);3-[(3-Morpholinopropyl)amino]propionitrile;
- PSA 48.29000
- LogP 0.54078
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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