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5-Ethoxyspiro[2.3]hexan-1-amine hydrochloride

CAT: 0926-UID31244-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-UID31244-01Size:50 mg
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CAS Number
2094312-44-2
MDL Number
MFCD30730700
Smiles
CCOC1CC2 (C1) CC2N.Cl
Molecular Formula
C8H16ClNO
Molecular Weight
177.67 g/mol
Controlled
No

Chemical Information

5-Ethoxyspiro[2.3]hexan-1-amine hydrochloride
CAS Number2094312-44-2
PubChem CID126809469
IUPAC Name5-ethoxyspiro[2.3]hexan-2-amine;hydrochloride
Molecular FormulaC8H16ClNO
Molecular Weight177.67
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
CCOC1CC2(C1)CC2N.Cl
InChI
InChI=1S/C8H15NO.ClH/c1-2-10-6-3-8(4-6)5-7(8)9;/h6-7H,2-5,9H2,1H3;1H
InChIKey
YJTKYHQTFHMCAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Ethoxyspiro[2.3]hexan-1-amine hydrochloride
CAS: 2094312-44-2
CID: 126809469
Formula: C8H16ClNO
MW: 177.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.67
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass177.0920418
Monoisotopic Mass177.0920418
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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