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Zeatin
CAS: 1637-39-4 | C10H13N5O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1637-39-4
Molecular Formula:
C10H13N5O
Molecular Weight:
219.248 g/mol
Names and Synonyms:
Zeatin
2-Buten-1-ol, 2-methyl-4-(purin-6-ylamino)-, (E)-
2-Buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-, (2E)-
(E)-Zeatin
2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (E)-
Zeatin
ZTA
ZT
6-(4-Hydroxy-3-methyl-trans-2-butenylamino)purine
trans-Zeatin
2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (2E)-
trans-6-(4-Hydroxy-3-methylbut-2-enyl)amino purine
N6-(4-Hydroxy-3-methyl-trans-2-butenyl)adenine
Zeatine
(2E)-2-Methyl-4-(9H-purin-6-ylamino)-2-buten-1-ol
Identifiers:
SMILES:
C/C(=CCNc1nc[nH]c2ncnc1-2)CO
InChI:
InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 219.248 g/mol | RDKit |
| Exact | Exact Molecular Weight | 219.112010036 g/mol | RDKit |
| Heavy | Heavy Atom Count | 16 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit | |
| Rotatable | Rotatable Bonds | 4 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 86.72000000000001 Ų | RDKit |
| Physical Properties | LogP | 0.6549999999999998 | RDKit |
| molecular_mass | 219.25 g/mol | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Zeatin | Legacy Database | |
| cas-canonical-smile | OCC(=CCNC1=NC=NC=2N=CNC21)C | Legacy Database | |
| cas-inchi | InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+ | Legacy Database | |
| cas-inchi-key | InChIKey=UZKQTCBAMSWPJD-FARCUNLSSA-N | Legacy Database | |
| cas-melting-point | 207.5 °C | Legacy Database | |
| cas-name | Zeatin | Legacy Database | |
| wikipedia-name | Zeatin | Legacy Database | |
| Molar | Molar Refractivity | 60.132200000000026 | RDKit |
