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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
Names and Synonyms:
Kinetin
9H-Purin-6-amine, N-(2-furanylmethyl)-
Adenine, N-furfuryl-
1H-Purin-6-amine, N-(2-furanylmethyl)-
Adenine, N6-furfuryl-
N-(2-Furanylmethyl)-9H-purin-6-amine
FAP
N-Furfuryladenine
Kinetin
2-Furanmethanamine, N-1H-purin-6-yl-
Kinetin (plant hormone)
6-(Furfurylamino)purine
6-Furfuryladenine
N6-(Furfurylamino)purine
N6-Furfuryladenine
KT
NSC 23119
Identifiers:
SMILES:
c1coc(CNc2nc[nH]c3ncnc2-3)c1
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)
Key Properties
Melting Point
266.5 °C
CAS Common Chemistry
Density
1.49 g/cm³
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 | 215.22 g/mol | CAS Common Chemistry |
| 215.216 g/mol | RDKit | |
| 215.080709908 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 |
| LogP | 1.5095999999999996 | RDKit |
| Molar Refractivity | 56.83440000000001 | RDKit |
