2- (α, β) -Hydroxy Rimantadine

CAT: 0024-sc-488628Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-488628Size:2.5 mg

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CAS Number

127619-49-2

Chemical Information

1-(1-Aminoethyl)adamantan-2-ol

CAS Number	127619-49-2
PubChem CID	10176519
IUPAC Name	1-(1-aminoethyl)adamantan-2-ol
Molecular Formula	C12H21NO
Molecular Weight	195.30
XLogP	1.8
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	239

SMILES

CC(C12CC3CC(C1)CC(C3)C2O)N

InChI

InChI=1S/C12H21NO/c1-7(13)12-5-8-2-9(6-12)4-10(3-8)11(12)14/h7-11,14H,2-6,13H2,1H3

InChIKey

KRYIANPFQVLGGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127619-49-2

CID: 10176519

Formula: C12H21NO

MW: 195.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.30
XLogP3	1.8
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	239
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-209598	3-Hydroxy Rimantadine
sc-488631	4- (α, β) -Hydroxy rimantadine
sc-216447	3-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-308052	2-Hydroxy-2- (2-hydroxy-1-naphthyl) acetic acid
sc-308052A	2-Hydroxy-2- (2-hydroxy-1-naphthyl) acetic acid
sc-486642A	2-Hydroxy-2-methylpropiophenone

Catalog	Name
279202-01	3-Hydroxy rimantadine
CS-T-100175	3-Hydroxy Rimantadine-d4
TRC-H953375-250MG	3-Hydroxy Rimantadine Hydrochloride
GTR19184316-01	Rimantadine
B7849-100	Rimantadine Hydrochloride
HY-B0338A-01	Rimantadine (hydrochloride)
MBS386893-01	Rimantadine (Flumadine)