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6-APDB (hydrochloride)

CAT: 0804-HY-118727-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118727-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6-APDB hydrochloride is a benzofuran[1].
CAS Number
1281872-58-9
UNSPSC
12352005
Hazard Statement
H302+H312+H332
Target
Drug Derivative
Related Pathways
Others
Field of Research
Neurological Disease
Smiles
NC(CC1=CC2=C(C=C1)CCO2)C.Cl
Molecular Formula
C11H16ClNO
Molecular Weight
213.70
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501
References & Citations
[1]Monte AP, et al. Synthesis and pharmacological examination of benzofuran, indan, and tetralin analogues of 3,4- (methylenedioxy) amphetamine. J Med Chem. 1993 Nov 12;36 (23) :3700-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-(2,3-Dihydro-1-benzofuran-6-yl)propan-2-amine hydrochloride
CAS Number1281872-58-9
PubChem CID66545233
IUPAC Name1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-amine;hydrochloride
Molecular FormulaC11H16ClNO
Molecular Weight213.70
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity171
SMILES
CC(CC1=CC2=C(CCO2)C=C1)N.Cl
InChI
InChI=1S/C11H15NO.ClH/c1-8(12)6-9-2-3-10-4-5-13-11(10)7-9;/h2-3,7-8H,4-6,12H2,1H3;1H
InChIKey
WDSLGCCKLAJZGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,3-Dihydro-1-benzofuran-6-yl)propan-2-amine hydrochloride
CAS: 1281872-58-9
CID: 66545233
Formula: C11H16ClNO
MW: 213.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass213.0920418
Monoisotopic Mass213.0920418
Topological Polar Surface Area35.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity171
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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