7-Hydroxy-DPAT

CAT: 0926-ZCA93811-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-ZCA93811-01Size:100 mg

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CAS Number

74938-11-7

MDL Number

MFCD00153809

Smiles

CCCN (CCC) C1CCC2=C (C1) C=C (C=C2) O.Br

Molecular Formula

C16H26BrNO

Molecular Weight

328.29 g/mol

Controlled

Yes

Chemical Information

7-hydroxy-2-(di-N-propylamino)tetralin

7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol is a member of tetralins.

CAS Number	74938-11-7
PubChem CID	1219
IUPAC Name	7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
Molecular Formula	C16H25NO
Molecular Weight	247.38
XLogP	4.1
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	237

SMILES

CCCN(CCC)C1CCC2=C(C1)C=C(C=C2)O

InChI

InChI=1S/C16H25NO/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

InChIKey

BLYMJBIZMIGWFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74938-11-7

CID: 1219

Formula: C16H25NO

MW: 247.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.38
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	247.193614421
Monoisotopic Mass	247.193614421
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes