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1-Adamantanol

CAT: 0804-HY-Y0531-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0531-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1-Adamantanol is a cyclic molecule with a hydroxyl group that can be used as an intermediate in the synthesis of adamantane. 1-Adamantanol can be oxidized to 1,3-adamantanediol by the Streptomyces SA8 oxidation system[1].
CAS Number
768-95-6
Product Name Alternative
1-Adamantanol
UNSPSC
12352200
Hazard Statement
H228, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/1-adamantanol.html
Purity
99.64
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
OC12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
Molecular Formula
C10H16O
Molecular Weight
152.24
Precautions
H228, H315, H319, H335
References & Citations
[1]Mitsukura K, Sakamoto H, Kubo H, et al. Bioconversion of 1-adamantanol to 1, 3-adamantanediol using Streptomyces sp. SA8 oxidation system[J]. Journal of bioscience and bioengineering, 2010, 109 (6) : 550-553.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

1-Adamantanol

structure in first source

CAS Number768-95-6
PubChem CID64152
IUPAC Nameadamantan-1-ol
Molecular FormulaC10H16O
Molecular Weight152.23
XLogP2.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
C1C2CC3CC1CC(C2)(C3)O
InChI
InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2
InChIKey
VLLNJDMHDJRNFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Adamantanol
CAS: 768-95-6
CID: 64152
Formula: C10H16O
MW: 152.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight152.23
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass152.120115130
Monoisotopic Mass152.120115130
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes