Back to Search
Molecule
Pyrilamine Maleate
CAS: 59-33-6 · C21H27N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 59-33-6
- Molecular Formula
- C21H27N3O5
- Molecular Mass
- 401.46 g/mol
Identifiers
CAS Registry Number
59-33-6
SMILES
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=CC(=O)O
InChI Key
JXYWFNAQESKDNC-BTJKTKAUSA-N
InChI
InChI=1S/C17H23N3O.C4H4O4/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;5-3(6)1-2-4(7)8/h4-11H,12-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Names and Synonyms
- Pyrilamine Maleate Synonym
- 1,2-Ethanediamine, N1-[(4-methoxyphenyl)methyl]-N2,N2-dimethyl-N1-2-pyridinyl-, (2Z)-2-butenedioate (1:1) Synonym
- Pyridine, 2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]-, maleate (1:1) Synonym
- 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N′,N′-dimethyl-N-2-pyridinyl-, (Z)-2-butenedioate (1:1) Synonym
- 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N′,N′-dimethyl-N-2-pyridinyl-, (2Z)-2-butenedioate (1:1) Synonym
- AH Synonym
- Anisopyradamine Synonym
- Neo-Antergan maleate Synonym
- Anthisan maleate Synonym
- Antihist Synonym
- Diaminide maleate Synonym
- 2-[[2-(Dimethylamino)ethyl](p-methoxybenzyl)amino]pyridine Bimaleate Synonym
- 2-[(2-Dimethylaminoethyl)(p-methoxybenzyl)amino]-pyridine maleate Synonym
- Mepyramine maleate Synonym
- N-p-Methoxybenzyl-N′,N′-dimethyl-N-α-pyridylethylenediamine maleate Synonym
- Minihist Synonym
- Neoantergan maleate Synonym
- Paramal Synonym
- Paraminyl maleate Synonym
- Pymafed Synonym
- Pyra Maleate Synonym
- Pyranilamine maleate Synonym
- Pyraninyl Synonym
- Pyranisamine maleate Synonym
- Pyrilamine maleate Synonym
- Renstamin Synonym
- Stangen maleate Synonym
- Statomin maleate Synonym
- Thylogen maleate Synonym
- Mepyramine hydrogen maleinate Synonym
- Prefrin A Synonym
- Thylogen Synonym
- Histapyran Synonym
- Pyramal Synonym
- Parmal Synonym
- Paraminyl Synonym
- Antamine Synonym
- Histalon Synonym
- Histalet Forte Synonym
- Histan Synonym
- Histatex Synonym
- Histavet P Synonym
- Enrumay Synonym
- Antisan Synonym
- Stangen Synonym
- Stamine Synonym
- NSC 3604 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 401.46 g/mol | CAS Common Chemistry |
| 401.46300000000014 g/mol | RDKit | |
| 401.463 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=CC(=O)O.N=1C=CC=CC1N(CC2=CC=C(OC)C=C2)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H23N3O.C4H4O4/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;5-3(6)1-2-4(7)8/h4-11H,12-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | CAS Common Chemistry |
| InChI Key | InChIKey=JXYWFNAQESKDNC-BTJKTKAUSA-N | CAS Common Chemistry |
| Melting Point | 100-101 °C | CAS Common Chemistry |
| Name | Pyrilamine maleate | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 103.2 Ų | RDKit |
| 102.21 Ų | chempirical lib | |
| LogP | 2.3702000000000005 | RDKit |
| 2.3702 | RDKit | |
| Molar Refractivity | 111.2466000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 401.1950709639999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 401.46 g/mol. Edit any field — others recompute live.
