Benzenamine,2-nitro-5-(1-piperidinyl)- supplier

Name
2-NITRO-5-PIPERIDINOANILINE
EINECS
CAS No. 54997-99-8
Article Data5
CAS DataBase
Density 1.258g/cm³
Solubility
Melting Point 102-104°C
Formula C₁₁H₁₅N₃O₂
Boiling Point 441.8 °C at 760 mmHg
Molecular Weight 221.259
Flash Point 221 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Nitro-5-(piperidin-1-yl)phenylamine;
PSA 75.08000
LogP 3.33670

Benzenamine,2-nitro-5-(1-piperidinyl)- Specification

The Benzenamine,2-nitro-5-(1-piperidinyl)-, with CAS registry number 54997-99-8, has the systematic name of 2-nitro-5-piperidin-1-ylaniline. Besides this, it is also called 2-Nitro-5-piperidinoaniline. Its molecular weight is 221.26. And the chemical formula of this chemical is C₁₁H₁₅N₃O₂.

Physical properties of Benzenamine,2-nitro-5-(1-piperidinyl)-: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 193.58; (6)ACD/BCF (pH 7.4): 193.6; (7)ACD/KOC (pH 5.5): 1508.46; (8)ACD/KOC (pH 7.4): 1508.59; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.3 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 61.85 cm³; (15)Molar Volume: 175.8 cm³; (16)Polarizability: 24.51×10^-24cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.258 g/cm³; (19)Flash Point: 221 °C; (20)Enthalpy of Vaporization: 69.91 kJ/mol; (21)Boiling Point: 441.8 °C at 760 mmHg; (22)Vapour Pressure: 5.29E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(cc(cc1)N2CCCCC2)N
(2)InChI: InChI=1/C11H15N3O2/c12-10-8-9(4-5-11(10)14(15)16)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7,12H2
(3)InChIKey: AUNKEFOSUQUFCM-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H15N3O2/c12-10-8-9(4-5-11(10)14(15)16)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7,12H2
(5)Std. InChIKey: AUNKEFOSUQUFCM-UHFFFAOYSA-N

Product Name

2-NITRO-5-PIPERIDINOANILINE

Benzenamine,2-nitro-5-(1-piperidinyl)- Specification

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