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Molecule
Minoxidil
CAS: 38304-91-5 · C9H15N5O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 38304-91-5
- Molecular Formula
- C9H15N5O
- Molecular Mass
- 209.25 g/mol
Identifiers
CAS Registry Number
38304-91-5
SMILES
N=c1[nH]c(N2CCCCC2)cc(N)[n+]1[O-]
InChI Key
ZFMITUMMTDLWHR-UHFFFAOYSA-N
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)
Names and Synonyms
- Minoxidil Synonym
- Riup X5 Synonym
- 2,4-Pyrimidinediamine, 6-(1-piperidinyl)-, 3-oxide Synonym
- Minoxidil Synonym
- 2,4-Diamino-6-piperidinopyrimidine 3-oxide Synonym
- Loniten Synonym
- 2,4-Diamino-6-piperidinopyrimidine 3-N-oxide Synonym
- RiUP Synonym
- Mintop Synonym
- Rogaine Synonym
- Alostil Synonym
- Prexidil Synonym
- PDP Synonym
- Pierminox Synonym
- U 10858 Synonym
- Minoximen Synonym
- Lonolox Synonym
- Alopexil Synonym
- Tricoxidil Synonym
- Normoxidil Synonym
- 6-Amino-1,2-dihydro-1-hydroxy-2-imino-4-piperidinopyrimidine Synonym
- 2,6-Diamino-4-(piperidin-1-yl)pyrimidine 1-oxide Synonym
- 2,6-Diamino-4-(piperidin-1-yl)pyrimidin-1-ium-1-olate Synonym
- 2,4-Diamino-6-(1-piperidinyl)-pyrimidine-3-oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.25 g/mol | CAS Common Chemistry |
| 209.25300000000001 g/mol | RDKit | |
| 209.253 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 |
| -0.2999 | RDKit | |
| Molar Refractivity | 56.08380000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 209.12766009999999 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
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MW = 209.25 g/mol. Edit any field — others recompute live.
