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Trans-Ethyl 4-aminocyclohexanecarboxylate

CAT: 0127-OR1042291-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1042291-01Size:100 mg
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CAS Number
1678-68-8
MDL Number
MFCD01333991
Purity
95%
Smiles
O=C([C@@H]1CC[C@@H](N)CC1)OCC

Chemical Information

Ethyl 4-aminocyclohexanecarboxylate
CAS Number1678-68-8
PubChem CID409963
IUPAC Nameethyl 4-aminocyclohexane-1-carboxylate
Molecular FormulaC9H17NO2
Molecular Weight171.24
XLogP0.8
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CCOC(=O)C1CCC(CC1)N
InChI
InChI=1S/C9H17NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8H,2-6,10H2,1H3
InChIKey
WASRJUXSLHUONH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-aminocyclohexanecarboxylate
CAS: 1678-68-8
CID: 409963
Formula: C9H17NO2
MW: 171.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.24
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass171.125928785
Monoisotopic Mass171.125928785
Topological Polar Surface Area52.3 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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Alternative Products

CatalogName
275269-01Ethyl trans-4-aminocyclohexanecarboxylate
011510Ethyl trans-4-Aminocyclohexanecarboxylate Hydrochloride
CAA08428Trans-Ethyl 4-aminocyclohexanecarboxylate hydrochloride
GTR19276358-01Tert-Butyl trans-4-aminocyclohexanecarboxylate
QDA95009Ethyl 4-aminocyclohexanecarboxylate hcl
449605-01Ethyl cis-4-Aminocyclohexanecarboxylate Hydrochloride
sc-228080Ethyl trans-4-bromocinnamate
sc-235075Ethyl trans-4-ethoxycinnamate
164133Ethyl trans-4-Oxobutenoate
sc-279151Ethyl trans-4-decenoate

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