Methanone, (3-nitrophenyl)-1-piperazinyl- supplier

Name
(3-NITRO-PHENYL)-PIPERAZIN-1-YL-METHANONE
EINECS
CAS No. 341529-34-8
Article Data7
CAS DataBase
Density 1.289 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃N₃O₃
Boiling Point 425.3 °C at 760 mmHg
Molecular Weight 235.243
Flash Point 211 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Piperazine, 1-(3-nitrobenzoyl)- (9CI);1-(3-Nitrobenzoyl)piperazine;
PSA 78.16000
LogP 1.43010

Methanone, (3-nitrophenyl)-1-piperazinyl- Specification

The Methanone, (3-nitrophenyl)-1-piperazinyl-, with the CAS registry number of 341529-34-8, is also known as (3-Nitro-phenyl)-piperazin-1-yl-methanone and 1-(3-Nitrobenzoyl)-piperazine. It belongs to the product category of Piperazines. This chemical's molecular formula is C₁₁H₁₃N₃O₃ and molecular weight is 235.24. What's more, its IUPAC name is (3-Nitrophenyl)-piperazin-1-ylmethanone.

Physical properties about Methanone, (3-nitrophenyl)-1-piperazinyl- are: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.16; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 8.4; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.37 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 61.55 cm³; (15)Molar Volume: 182.4 cm³; (16)Surface Tension: 52.6 dyne/cm; (17)Density: 1.289 g/cm³; (18)Flash Point: 211 °C; (19)Enthalpy of Vaporization: 68 kJ/mol; (20)Boiling Point: 425.3 °C at 760 mmHg; (21)Vapour Pressure: 1.93E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cccc([N+]([O-])=O)c1)N2CCNCC2
(2) InChI: InChI=1/C11H13N3O3/c15-11(13-6-4-12-5-7-13)9-2-1-3-10(8-9)14(16)17/h1-3,8,12H,4-7H2
(3) InChIKey: RTCPOEOGSICKJP-UHFFFAOYAM

Product Name

(3-NITRO-PHENYL)-PIPERAZIN-1-YL-METHANONE

Methanone, (3-nitrophenyl)-1-piperazinyl- Specification

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