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23599-75-9 molecular structure
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2-methyl-4-[(7H-purin-6-yl)amino]butan-1-ol

ChemBase ID: 153325
Molecular Formular: C10H15N5O
Molecular Mass: 221.259
Monoisotopic Mass: 221.12766013
SMILES and InChIs

SMILES:
CC(CCNc1c2c(nc[nH]2)ncn1)CO
Canonical SMILES:
OCC(CCNc1ncnc2c1[nH]cn2)C
InChI:
InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)
InChIKey:
XXFACTAYGKKOQB-UHFFFAOYSA-N

Cite this record

CBID:153325 http://www.chembase.cn/molecule-153325.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-4-[(7H-purin-6-yl)amino]butan-1-ol
IUPAC Traditional name
2-methyl-4-(7H-purin-6-ylamino)butan-1-ol
Synonyms
DL-Dihydrozeatin
CAS Number
23599-75-9
MDL Number
MFCD00056912
Beilstein Number
1215977
PubChem SID
162247464
PubChem CID
32021

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 32021 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.2272835  H Acceptors
H Donor LogD (pH = 5.5) -0.19435719 
LogD (pH = 7.4) -0.022867577  Log P -0.019572925 
Molar Refractivity 63.9868 cm3 Polarizability 23.183037 Å3
Polar Surface Area 86.72 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
43 expand Show data source
Safety Statements
36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H317 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
~90% expand Show data source
≥98.0% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C10H15N5O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 08535 external link
Biochem/physiol Actions
DL-Dihydrozeatin can be converted into zeatin by the enzyme zeatin reductase. It has been identified as a plant growth cytokinin that stimulates flower bud formation. 1,2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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