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Minoxidil
CAS: 38304-91-5 | C9H15N5O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38304-91-5
Molecular Formula:
C9H15N5O
Molecular Mass:
209.25 g/mol
Names and Synonyms:
Minoxidil
Riup X5
2,4-Pyrimidinediamine, 6-(1-piperidinyl)-, 3-oxide
Minoxidil
2,4-Diamino-6-piperidinopyrimidine 3-oxide
Loniten
2,4-Diamino-6-piperidinopyrimidine 3-N-oxide
RiUP
Mintop
Rogaine
Alostil
Prexidil
PDP
Pierminox
U 10858
Minoximen
Lonolox
Alopexil
Tricoxidil
Normoxidil
6-Amino-1,2-dihydro-1-hydroxy-2-imino-4-piperidinopyrimidine
2,6-Diamino-4-(piperidin-1-yl)pyrimidine 1-oxide
2,6-Diamino-4-(piperidin-1-yl)pyrimidin-1-ium-1-olate
2,4-Diamino-6-(1-piperidinyl)-pyrimidine-3-oxide
Identifiers:
SMILES:
N=c1[nH]c(N2CCCCC2)cc(N)[n+]1[O-]
InChI:
InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
Key Properties
Melting Point
248 °C
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 | 209.25 g/mol | CAS Common Chemistry |
| 209.25300000000001 g/mol | RDKit | |
| 209.12766009999999 g/mol | RDKit | |
| Canonical SMILES | O=N1=C(N=C(C=C1N)N2CCCCC2)N | CAS Common Chemistry |
| InChI | InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=ZFMITUMMTDLWHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 248 °C | CAS Common Chemistry |
| Name | Minoxidil | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 95.84 Ų | RDKit |
| LogP | -0.29992999999999953 | RDKit |
| Molar Refractivity | 56.08380000000002 | RDKit |
