3-Hydroxy Rimantadine

CAT: 0024-sc-209598Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-209598Size:2.5 mg

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CAS Number

90812-24-1

Chemical Information

3-(1-Aminoethyl)adamantan-1-ol

CAS Number	90812-24-1
PubChem CID	2769978
IUPAC Name	3-(1-aminoethyl)adamantan-1-ol
Molecular Formula	C12H21NO
Molecular Weight	195.30
XLogP	1.2
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	249

SMILES

CC(C12CC3CC(C1)CC(C3)(C2)O)N

InChI

InChI=1S/C12H21NO/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11/h8-10,14H,2-7,13H2,1H3

InChIKey

JVWKHPHTJHFQAN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90812-24-1

CID: 2769978

Formula: C12H21NO

MW: 195.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.30
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	195.162314293
Monoisotopic Mass	195.162314293
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	249
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-488628	2- (α, β) -Hydroxy Rimantadine
sc-488631	4- (α, β) -Hydroxy rimantadine
sc-488629	2- (α, β) -Hydroxy rimantadine-d4
sc-216731	4- (α, β) -Hydroxy Rimantadine-d4
sc-205842A	Rimantadine Hydrochloride
sc-205842	Rimantadine Hydrochloride
sc-219974	Rimantadine-d4 Hydrochloride
sc-266680	3-Hydroxy-3'-methoxyflavone
sc-226093	3-Hydroxy-3-methylbutyronitrile
sc-226094	3-Hydroxy-3-phenylpropionitrile

Catalog	Name
279202-01	3-Hydroxy rimantadine
CS-T-100175	3-Hydroxy Rimantadine-d4
TRC-H953375-250MG	3-Hydroxy Rimantadine Hydrochloride
GTR19184316-01	Rimantadine
HY-B0338A-01	Rimantadine (hydrochloride)
T1598-01	Rimantadine hydrochloride
MBS386893-01	Rimantadine (Flumadine)