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Trans-4-Ethoxycyclohexanamine hydrochloride

CAT: 0127-OR1007188-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1007188-01Size:100 mg
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CAS Number
674367-29-4
Purity
97%
Smiles
CCO[C@H]1CC[C@@H](CC1)N.Cl

Chemical Information

trans-4-Ethoxycyclohexanamine hydrochloride
CAS Number674367-29-4
PubChem CID17952617
IUPAC Name4-ethoxycyclohexan-1-amine;hydrochloride
Molecular FormulaC8H18ClNO
Molecular Weight179.69
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity87
SMILES
CCOC1CCC(CC1)N.Cl
InChI
InChI=1S/C8H17NO.ClH/c1-2-10-8-5-3-7(9)4-6-8;/h7-8H,2-6,9H2,1H3;1H
InChIKey
WRLCLAFIYHGCJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of trans-4-Ethoxycyclohexanamine hydrochloride
CAS: 674367-29-4
CID: 17952617
Formula: C8H18ClNO
MW: 179.69
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight179.69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass179.1076919
Monoisotopic Mass179.1076919
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity87.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes