1-Propanamine,3-[(2,4-dinitrophenyl)thio]-N,N-diethyl-, hydrochloride (1:1) supplier

Name
3-[(2,4-dinitrophenyl)sulfanyl]-N,N-diethylpropan-1-amine
EINECS
CAS No. 7579-63-7
Density 1.25g/cm³
Solubility
Melting Point
Formula C₁₃H₂₀ClN₃O₄S
Boiling Point 425.1°C at 760 mmHg
Molecular Weight 313.3727
Flash Point 210.9°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propylamine,3-[(2,4-dinitrophenyl)thio]-N,N-diethyl-, hydrochloride (7CI,8CI);NSC 100985;
PSA
LogP

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

Product Name

3-[(2,4-dinitrophenyl)sulfanyl]-N,N-diethylpropan-1-amine

1-Propanamine,3-[(2,4-dinitrophenyl)thio]-N,N-diethyl-, hydrochloride (1:1) Specification

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