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Molecule
Kinetin
CAS: 525-79-1 · C10H9N5O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 525-79-1
- Molecular Formula
- C10H9N5O
- Molecular Mass
- 215.22 g/mol
Identifiers
CAS Registry Number
525-79-1
SMILES
c1coc(CNc2nc[nH]c3ncnc2-3)c1
InChI Key
QANMHLXAZMSUEX-UHFFFAOYSA-N
InChI
InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
Names and Synonyms
- Kinetin Synonym
- 9H-Purin-6-amine, N-(2-furanylmethyl)- Synonym
- Adenine, N-furfuryl- Synonym
- 1H-Purin-6-amine, N-(2-furanylmethyl)- Synonym
- Adenine, N6-furfuryl- Synonym
- N-(2-Furanylmethyl)-9H-purin-6-amine Synonym
- FAP Synonym
- N-Furfuryladenine Synonym
- Kinetin Synonym
- 2-Furanmethanamine, N-1H-purin-6-yl- Synonym
- Kinetin (plant hormone) Synonym
- 6-(Furfurylamino)purine Synonym
- 6-Furfuryladenine Synonym
- N6-(Furfurylamino)purine Synonym
- N6-Furfuryladenine Synonym
- KT Synonym
- NSC 23119 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.22 g/mol | CAS Common Chemistry |
| 215.216 g/mol | RDKit | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.49 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Kinetin | CAS Common Chemistry |
| Canonical SMILES | N1=CN=C(NCC=2OC=CC2)C=3NC=NC13 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=QANMHLXAZMSUEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 266.5 °C | CAS Common Chemistry |
| Name | Kinetin | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 79.63000000000001 Ų | RDKit |
| 79.63 Ų | RDKit | |
| LogP | 1.5095999999999996 | RDKit |
| 1.5096 | RDKit | |
| Molar Refractivity | 56.83440000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 215.080709908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 215.22 g/mol; density = 1.490 g/mL. Edit any field — others recompute live.
