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| Name |
1-Propanamine,3-[(2,4-dinitrophenyl)thio]-N,N-diethyl-, hydrochloride (1:1) |
EINECS | N/A |
| CAS No. | 7579-63-7 | Density | 1.25g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H20ClN3O4S | Boiling Point | 425.1°C at 760 mmHg |
| Molecular Weight | 313.3727 | Flash Point | 210.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propylamine,3-[(2,4-dinitrophenyl)thio]-N,N-diethyl-, hydrochloride (7CI,8CI);NSC 100985; |
1-Propanamine,3-[(2,4-dinitrophenyl)thio]-N,N-diethyl-, hydrochloride (1:1) Specification
The 1-Propanamine,3-[(2,4-dinitrophenyl)thio]-N,N-diethyl-, hydrochloride (1:1), with the CAS registry number 7579-63-7, is also known as Propylamine,3-[(2,4-dinitrophenyl)thio]-N,N-diethyl-, hydrochloride (7CI,8CI). This chemical's molecular formula is C13H20ClN3O4S and molecular weight is 349.8336. What's more, its systematic name and its IUPAC name are the same which is called 3-(2,4-Dinitrophenyl)sulfanyl-N,N-diethylpropan-1-amine hydrochloride.
Physical properties about 1-Propanamine,3-[(2,4-dinitrophenyl)thio]-N,N-diethyl-, hydrochloride (1:1): (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 5; (3)Rotatable Bond Count: 7; (4)Exact Mass: 349.086305; (5)MonoIsotopic Mass: 349.086305; (6)Topological Polar Surface Area: 120; (7)Heavy Atom Count: 22; (8)Formal Charge: 0; (9)Complexity: 341; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count:0; (15)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1) SMILES: CCN(CC)CCCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].Cl
(2)InChI: InChI=1S/C13H19N3O4S.ClH/c1-3-14(4-2)8-5-9-21-13-7-6-11(15(17)18)10-12(13)16(19)20;/h6-7,10H,3-5,8-9H2,1-2H3;1H
(3)InChIKey: JZVXMQNKWPDOCN-UHFFFAOYSA-N
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