Bromantane-d5

CAT: 1596-AR-B07795-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B07795-06Size:250 Units

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CAS Number

1794737-27-1

Synonyms

(1R,3S,5r,7r) -N- (4-bromophenyl-2,3,5,6-d4) adamantan-2-d-2-amine

Molecular Formula

C16H15D5BrN

Molecular Weight

311.28

API Name

Bromantane

Chemical Information

Bromantane-d5

CAS Number	1794737-27-1
PubChem CID	71314202
IUPAC Name	N-(4-bromo-2,3,5,6-tetradeuteriophenyl)-2-deuterioadamantan-2-amine
Molecular Formula	C16H20BrN
Molecular Weight	311.27
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

[2H]C1=C(C(=C(C(=C1NC2(C3CC4CC(C3)CC2C4)[2H])[2H])[2H])Br)[2H]

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/i1D,2D,3D,4D,16D

InChIKey

LWJALJDRFBXHKX-IPPIDYIJSA-N

Chemical Structure

2D Structure

CAS: 1794737-27-1

CID: 71314202

Formula: C16H20BrN

MW: 311.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.27
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	310.10930
Monoisotopic Mass	310.10930
Topological Polar Surface Area	12 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	280
Isotope Atom Count	5
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
AR-B07794-01	Bromantane
AR-B07792-01	Bromantane-d4
AR-B07793-01	N-Hydroxy Bromantane
AR-B07796-01	N-Nitroso Bromantane
AR-B01436-01	Bestatin-d5 (Ubenimex-d5)
AR-B06567-01	Benzhexol-d5 (Trihexyphenidyl-d5)
AR-Z01104-01	Zofenopril-d5 (Benzoic-d5)
AR-E10711-01	Etomidate-d5 (ester-d5)
AR-Z01109-01	Zofenopril-d5 (Thiophenyl-d5)
AR-S01446-01	Acetidenafil-d5 (Hongdenafil-d5)

Catalog	Name
TRC-B678452-50MG	Bromantane-d5
TRC-H830017-25MG	6-Hydroxy Bromantane-d5
sc-491664	5-Hydroxy bromantane-d5
TRC-B678450-5G	Bromantane
sc-490482	6-Hydroxy Bromantane
436657-01	5-Hydroxy Bromantane
438867-01	6-Oxo Bromantane
438868-01	6-Oxo Bromantane NPG Glycol Ketal
CS-EL-00084	Phenoxybenzamine-d5 (Phenoxy-D5)
TRC-S211421-5MG	Sebuthylazine-d5 (ethyl-d5)