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1-Ethyladamantane

CAT: 0572-TRC-E897110-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E897110-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
770-69-4
Synonyms
1-Ethyltricyclo[3.3.1.13,7]decane
Hazard Statement
No Data Available
Smiles
CCC1C2CC3CC(CC1C3)C2
Molecular Formula
C12H20
Molecular Weight
164.29
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

1-Ethyladamantane
CAS Number770-69-4
PubChem CID522637
IUPAC Name1-ethyladamantane
Molecular FormulaC12H20
Molecular Weight164.29
XLogP4.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C12H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3
InChIKey
LXTHCCWEYOKFSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Ethyladamantane
CAS: 770-69-4
CID: 522637
Formula: C12H20
MW: 164.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.29
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass164.156500638
Monoisotopic Mass164.156500638
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
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

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sc-4868321-Ethyladamantane
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