N,N-Dipropyl-2-methyl-3-nitrophenylethanamine supplier

Name
N,N-Dipropyl-2-methyl-3-nitrophenylethanamine
EINECS
CAS No. 91374-23-1
Article Data4
CAS DataBase
Density 1.029 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₄N₂O₂
Boiling Point 373.812 °C at 760 mmHg
Molecular Weight 264.368
Flash Point 179.875 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N,N-Dipropyl-2-(2-methyl-3-nitrophenyl)ethylamine;
PSA 49.06000
LogP 4.09090

N,N-Dipropyl-2-methyl-3-nitrophenylethanamine Specification

The Benzeneethanamine,2-methyl-3-nitro-N,N-dipropyl-, with the CAS registry number 91374-23-1, is also known as N,N-Dipropyl-2-methyl-3-nitrophenylethanamine. It belongs to the product categories of Pharmaceutical Material and Intermeidates; Medicine Intermediate. This chemical's molecular formula is C₁₅H₂₄N₂O₂ and molecular weight is 264.36. What's more, both its IUPAC name and systematic name are the same which is called N-[2-(2-Methyl-3-nitrophenyl)ethyl]-N-propylpropan-1-amine.

Physical properties about Benzeneethanamine,2-methyl-3-nitro-N,N-dipropyl- are: (1)ACD/LogP: 4.452; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 1.35; (6)ACD/BCF (pH 7.4): 18.63; (7)ACD/KOC (pH 5.5): 5.98; (8)ACD/KOC (pH 7.4): 82.32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.525 ; (14)Molar Refractivity: 78.691 cm³; (15)Molar Volume: 256.661 cm³; (16)Polarizability: 31.196×10^-24cm³; (17)Surface Tension: 38.999dyne/cm; (18)Density: 1.03 g/cm³; (19)Flash Point: 179.875 °C; (20)Enthalpy of Vaporization: 62.112 kJ/mol; (21)Boiling Point: 373.812 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(cccc1CCN(CCC)CCC)[N+]([O-])=O
(2) InChI: InChI=1S/C15H24N2O2/c1-4-10-16(11-5-2)12-9-14-7-6-8-15(13(14)3)17(18)19/h6-8H,4-5,9-12H2,1-3H3
(3) InChIKey: YTNVHUSMDIAWLT-UHFFFAOYSA-N

Product Name

N,N-Dipropyl-2-methyl-3-nitrophenylethanamine

N,N-Dipropyl-2-methyl-3-nitrophenylethanamine Specification

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