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5-Eapb hydrochloride

CAT: 0926-YXC77622-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-YXC77622-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1823776-22-2
MDL Number
MFCD28038714
Smiles
CCNC (C) CC1=CC2=C (C=C1) OC=C2.Cl
Molecular Formula
C13H18ClNO
Molecular Weight
239.74 g/mol
Controlled
Yes

Chemical Information

1-(Benzofuran-5-yl)-N-ethylpropan-2-amine hydrochloride
CAS Number1823776-22-2
PubChem CID112500548
IUPAC Name1-(1-benzofuran-5-yl)-N-ethylpropan-2-amine;hydrochloride
Molecular FormulaC13H18ClNO
Molecular Weight239.74
Topological Polar Surface Area25.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity195
SMILES
CCNC(C)CC1=CC2=C(C=C1)OC=C2.Cl
InChI
InChI=1S/C13H17NO.ClH/c1-3-14-10(2)8-11-4-5-13-12(9-11)6-7-15-13;/h4-7,9-10,14H,3,8H2,1-2H3;1H
InChIKey
YJEXOIDIYJUVNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Benzofuran-5-yl)-N-ethylpropan-2-amine hydrochloride
CAS: 1823776-22-2
CID: 112500548
Formula: C13H18ClNO
MW: 239.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.74
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass239.1076919
Monoisotopic Mass239.1076919
Topological Polar Surface Area25.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity195
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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