Ethanone,1-[4-(3-aminopropyl)-1-piperazinyl]- supplier

Name
1-Piperazinepropanamine,4-acetyl-(9CI)
EINECS
CAS No. 141516-24-7
Article Data3
CAS DataBase
Density 1.043 g/cm³
Solubility
Melting Point
Formula C₉H₁₉N₃O
Boiling Point 335.2 °C at 760 mmHg
Molecular Weight 185.27
Flash Point 156.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Piperazinepropanamine,4-acetyl- (9CI);1-(4-(3-Aminopropyl)piperazin-1-yl)ethanone;3-(4-Acetylpiperazin-1-yl)propan-1-amine;
PSA 49.57000
LogP 0.07540

Ethanone,1-[4-(3-aminopropyl)-1-piperazinyl]- Specification

The Benzenamine,2,3-dichloro-6-nitro-, with the CAS registry number 141516-24-7, is also known as 1-(4-(3-Aminopropyl)piperazin-1-yl)ethanone. It belongs to the product category of Piperidine. This chemical's molecular formula is C₉H₁₉N₃O and molecular weight is 185.27. What's more, its systematic name is 3-(4-acetylpiperazin-1-yl)propan-1-amine.

Physical properties of Benzenamine,2,3-dichloro-6-nitro- are: (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: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 49.57 Å²; (10)Index of Refraction: 1.5; (11)Molar Refractivity: 52.27 cm³; (12)Molar Volume: 177.5 cm³; (13)Polarizability: 20.72×10^-24cm³; (14)Surface Tension: 40.6 dyne/cm; (15)Density: 1.043 g/cm³; (16)Flash Point: 156.5 °C; (17)Enthalpy of Vaporization: 57.82 kJ/mol; (18)Boiling Point: 335.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000122 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])N)Cl)Cl
(2)InChI: InChI=1S/C6H4Cl2N2O2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H,9H2
(3)InChIKey: RDCOVUDTFKIURA-UHFFFAOYSA-N

Product Name

1-Piperazinepropanamine,4-acetyl-(9CI)

Ethanone,1-[4-(3-aminopropyl)-1-piperazinyl]- Specification

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