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7-Hydroxy-DPAT hydrobromide

CAT: 0926-BDA13530-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BDA13530-01Size:10 mg
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CAS Number
76135-30-3
MDL Number
MFCD00153809
Smiles
CCCN (CCC) C1CCC2=C (C1) C=C (C=C2) O.Br
Molecular Formula
C16H25NO·HBr
Molecular Weight
328.28 g/mol
Controlled
No

Chemical Information

(A+-)-7-Hydroxy-2-(di-n-propylamino)tetralin hydrobromide
CAS Number76135-30-3
PubChem CID11957566
IUPAC Name7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
Molecular FormulaC16H26BrNO
Molecular Weight328.29
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity237
SMILES
CCCN(CCC)C1CCC2=C(C1)C=C(C=C2)O.Br
InChI
InChI=1S/C16H25NO.BrH/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15;/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3;1H
InChIKey
ODNDMTWHRYECKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (A+-)-7-Hydroxy-2-(di-n-propylamino)tetralin hydrobromide
CAS: 76135-30-3
CID: 11957566
Formula: C16H26BrNO
MW: 328.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight328.29
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass327.11978
Monoisotopic Mass327.11978
Topological Polar Surface Area23.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity237
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