Bromantane

CAT: 1596-AR-B07794-06Size: 250 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-B07794-06Size:250 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

87913-26-6

Synonyms

(1R,3S,5r,7r) -N- (4-bromophenyl) adamantan-2-amine

Molecular Formula

C16H20BrN

Molecular Weight

306.25

API Name

Bromantane

Chemical Information

Bromantan

a derivative of 2-aminoadamantane; a CNS stimulant

CAS Number	87913-26-6
PubChem CID	4660557
IUPAC Name	N-(4-bromophenyl)adamantan-2-amine
Molecular Formula	C16H20BrN
Molecular Weight	306.24
XLogP	5
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	280

SMILES

C1C2CC3CC1CC(C2)C3NC4=CC=C(C=C4)Br

InChI

InChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2

InChIKey

LWJALJDRFBXHKX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87913-26-6

CID: 4660557

Formula: C16H20BrN

MW: 306.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.24
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	305.07791
Monoisotopic Mass	305.07791
Topological Polar Surface Area	12 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	280
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-B678450-5G	Bromantane
TRC-B678452-25MG	Bromantane-d5
sc-490482	6-Hydroxy Bromantane
436657-01	5-Hydroxy Bromantane
438867-01	6-Oxo Bromantane
TRC-H830017-25MG	6-Hydroxy Bromantane-d5
sc-491664	5-Hydroxy bromantane-d5
438868-01	6-Oxo Bromantane NPG Glycol Ketal