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

C₁₅H₂₄N₂O₂CAS 91374-23-1264.37 g/mol

Open in Covalent MOL file

Nitro Tertiary amine

Properties

Molecular formula: C₁₅H₂₄N₂O₂
Molar mass: 264.37 g/mol
Exact mass: 264.1838 Da
Boiling point: 115–120 °C (at 0.1 Torr)
logP: 3.57Crippen estimate
Polar surface area: 46.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number

91374-23-1

SMILES

CCCN(CCC)CCc1cccc([N+](=O)[O-])c1C

InChIKey

YTNVHUSMDIAWLT-UHFFFAOYSA-N

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

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 8.03 (dd, J = 7.7, 1.6 Hz, 1H), 7.49 (dd, J = 7.7, 1.6 Hz, 1H), 7.35 (t, J = 7.7 Hz, 1H), 2.80 (m, J = 7.0 Hz, 2H), 2.80 (m, J = 7.0 Hz, 2H), 2.45 (t, J = 7.0 Hz, 4H), 2.35 (s, 3H), 1.44 (sext, J = 7.0 Hz, 4H), 0.86 (t, J = 7.0 Hz, 6H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 148.6, 145.7, 133.7, 131.8, 126.3, 120.2, 58.8, 58.6, 35.8, 22.8, 19.8, 11.7.

[M + H]+

[M + H]+ Calcd for C15H25N2O2 265.1911

[M + Na]+

[M + Na]+ Calcd for C15H24N2NaO2 287.1730

[M − H]−

[M − H]− Calcd for C15H23N2O2 263.1765

Elemental analysis

Anal. Calcd for C15H24N2O2: C, 68.15; H, 9.15; N, 10.60.