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Cyclodrine

CAT: 0127-BUP16230-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16230-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52109-93-0
Synonyms
Cyclopent
Purity
=95%
Smiles
C(C(OCCN(CC)CC)=O)(C1(O)CCCC1)C2=CC=CC=C2

Chemical Information

Cyclodrine

Cyclodrine is a member of benzenes.

CAS Number52109-93-0
PubChem CID162669
IUPAC Name2-(diethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
Molecular FormulaC19H29NO3
Molecular Weight319.4
XLogP3.5
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity356
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O
InChI
InChI=1S/C19H29NO3/c1-3-20(4-2)14-15-23-18(21)17(16-10-6-5-7-11-16)19(22)12-8-9-13-19/h5-7,10-11,17,22H,3-4,8-9,12-15H2,1-2H3
InChIKey
LMKPHJYTFHAGHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclodrine
CAS: 52109-93-0
CID: 162669
Formula: C19H29NO3
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass319.21474379
Monoisotopic Mass319.21474379
Topological Polar Surface Area49.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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