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4-APB Hydrochloride

CAT: 0572-TRC-A790445-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A790445-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
286834-82-0
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.CC(N)Cc1cccc2occc12
Molecular Formula
C11 H13 N O . H Cl
Molecular Weight
211.7
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-APB (hydrochloride)
CAS Number286834-82-0
PubChem CID10130545
IUPAC Name1-(1-benzofuran-4-yl)propan-2-amine;hydrochloride
Molecular FormulaC11H14ClNO
Molecular Weight211.69
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity171
SMILES
CC(CC1=C2C=COC2=CC=C1)N.Cl
InChI
InChI=1S/C11H13NO.ClH/c1-8(12)7-9-3-2-4-11-10(9)5-6-13-11;/h2-6,8H,7,12H2,1H3;1H
InChIKey
WNVJCFICRFPUFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-APB (hydrochloride)
CAS: 286834-82-0
CID: 10130545
Formula: C11H14ClNO
MW: 211.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass211.0763918
Monoisotopic Mass211.0763918
Topological Polar Surface Area39.2 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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