AHN 1-055 hydrochloride

CAT: 0127-BUP15383-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15383-01Size:5 mg

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CAS Number

202646-03-5

Synonyms

3a-Bis- (4-fluorophenyl) Methoxytropane hydrochloride

Purity

=98%

Smiles

Cl.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1

Chemical Information

AHN 1-055 (hydrochloride)

CAS Number	202646-03-5
PubChem CID	24978533
IUPAC Name	(1S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
Molecular Formula	C21H24ClF2NO
Molecular Weight	379.9
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	396

SMILES

CN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C21H23F2NO.ClH/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15;/h2-9,18-21H,10-13H2,1H3;1H/t18-,19+,20?;

InChIKey

YOORVSGDAHWVMC-IIPFOPBBSA-N

Chemical Structure

2D Structure

CAS: 202646-03-5

CID: 24978533

Formula: C21H24ClF2NO

MW: 379.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	379.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	379.1514484
Monoisotopic Mass	379.1514484
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	396
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
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Catalog	Name
HY-101315-01	AHN 1-055 (hydrochloride)
MBS3616785-01	AHN 1-055 hydrochloride
HY-101315R	AHN 1-055 (hydrochloride) (Standard)
T32910-01	LU 5-055 hydrochloride
XAA58329	1,1-Dimethylguanidine hydrochloride
410394-01	1,1-Dimethylbutylamine Hydrochloride
TRC-P335110-10G	Phenylhydrazine Hydrochloride (1:1)
sc-202000C	1,1-Dimethylbiguanide, Hydrochloride
GTR19254875-01	1,1-Dimethylhydrazine hydrochloride
D51090-01	1,1-Diphenylhydrazine hydrochloride