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CAT: 0127-BUP16197-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16197-01Size:10 mg

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CAS Number

92206-54-7

Synonyms

1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2- (2-thienyl) ethyl]amino]-

Purity

=98%

Smiles

OC1=C2C(CC(N(CCC3=CC=CS3)CCC)CC2)=CC=C1

Chemical Information

5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthalenol

6-{propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol is a member of tetralins.

CAS Number	92206-54-7
PubChem CID	57537
IUPAC Name	6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular Formula	C19H25NOS
Molecular Weight	315.5
XLogP	4.9
Topological Polar Surface Area	51.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	337

SMILES

CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O

InChI

InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3

InChIKey

KFQYTPMOWPVWEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92206-54-7

CID: 57537

Formula: C19H25NOS

MW: 315.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.5
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	315.16568559
Monoisotopic Mass	315.16568559
Topological Polar Surface Area	51.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	337
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