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Isopropamide Iodide
CAS: 71-81-8 | C23H33IN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71-81-8
Molecular Formula:
C23H33IN2O
Molecular Mass:
480.43 g/mol
Names and Synonyms:
Isopropamide Iodide
Benzenepropanaminium, γ-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-γ-phenyl-, iodide (1:1)
(3-Carbamoyl-3,3-diphenylpropyl)diisopropylmethylammonium iodide
Ammonium, (3-carbamoyl-3,3-diphenylpropyl)diisopropylmethyl-, iodide
Benzenepropanaminium, γ-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-γ-phenyl-, iodide
R 79
SKF 4740
Darbid
2,2-Diphenyl-4-diisopropylaminobutyramide methiodide
Isopropamide iodide
Priamide
Dipramid
Dipramide
Sanulcin
Tyrimide
Isamid
Marygin-M
5579 MD
Piaccamide
Priazimide
Isoproponum iodide
Identifiers:
SMILES:
CC(C)[N+](C)(CCC(C(=N)[O-])(c1ccccc1)c1ccccc1)C(C)C.I
InChI:
InChI=1S/C23H32N2O.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H
Key Properties
Melting Point
199 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 480.43 g/mol | CAS Common Chemistry |
| 480.4340000000001 g/mol | RDKit | |
| 480.163761676 g/mol | RDKit | |
| Canonical SMILES | [I-].O=C(N)C(C=1C=CC=CC1)(C=2C=CC=CC2)CC[N+](C)(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C23H32N2O.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H | CAS Common Chemistry |
| InChI Key | InChIKey=BFSMWENDZZIWPW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 199 °C (decomp) | CAS Common Chemistry |
| Name | Isopropamide iodide | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.91 Ų | RDKit |
| LogP | 4.581770000000004 | RDKit |
| Molar Refractivity | 122.74610000000006 | RDKit |
