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Pyrilamine Maleate

CAS: 59-33-6 | C21H27N3O5

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 59-33-6
Molecular Formula: C21H27N3O5
Molecular Weight: 401.46300000000014 g/mol

Names and Synonyms:

Pyrilamine Maleate
1,2-Ethanediamine, N1-[(4-methoxyphenyl)methyl]-N2,N2-dimethyl-N1-2-pyridinyl-, (2Z)-2-butenedioate (1:1)
Pyridine, 2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]-, maleate (1:1)
1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N′,N′-dimethyl-N-2-pyridinyl-, (Z)-2-butenedioate (1:1)
1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N′,N′-dimethyl-N-2-pyridinyl-, (2Z)-2-butenedioate (1:1)
AH
Anisopyradamine
Neo-Antergan maleate
Anthisan maleate
Antihist
Diaminide maleate
2-[[2-(Dimethylamino)ethyl](p-methoxybenzyl)amino]pyridine Bimaleate
2-[(2-Dimethylaminoethyl)(p-methoxybenzyl)amino]-pyridine maleate
Mepyramine maleate
N-p-Methoxybenzyl-N′,N′-dimethyl-N-α-pyridylethylenediamine maleate
Minihist
Neoantergan maleate
Paramal
Paraminyl maleate
Pymafed
Pyra Maleate
Pyranilamine maleate
Pyraninyl
Pyranisamine maleate
Pyrilamine maleate
Renstamin
Stangen maleate
Statomin maleate
Thylogen maleate
Mepyramine hydrogen maleinate
Prefrin A
Thylogen
Histapyran
Pyramal
Parmal
Paraminyl
Antamine
Histalon
Histalet Forte
Histan
Histatex
Histavet P
Enrumay
Antisan
Stangen
Stamine
NSC 3604

Identifiers:

SMILES:
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=CC(=O)O
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-

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 401.46 g/mol Legacy Database
cas-canonical-smile O=C(O)C=CC(=O)O.N=1C=CC=CC1N(CC2=CC=C(OC)C=C2)CCN(C)C None Legacy Database
cas-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- None Legacy Database
cas-inchi-key InChIKey=JXYWFNAQESKDNC-BTJKTKAUSA-N None Legacy Database
cas-melting-point 100-101 °C None Legacy Database
cas-name Pyrilamine maleate None Legacy Database
LogP 2.3702000000000005 RDKit

Molecular

Property Value Source
Molecular Weight 401.46300000000014 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 401.1950709639999 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 29 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 9 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 103.2 Ų RDKit

Molar

Property Value Source
Molar Refractivity 111.2466000000001 RDKit

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