ATR-258

CAT: 1568-C21559-25mgSize: 25 mgDry Ice: NoHazardous: No

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CAT#:1568-C21559-25mgSize:25 mg

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

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CAS Number

2301983-88-8

Molecular Formula

C11H17FN2O 11172

Additionnal Information

β2‐adrenergic receptor (β2AR)

Chemical Information

(R)-2-(tert-Butylamino)-1-(5-fluoropyridin-3-yl)ethan-1-ol

CAS Number	2301983-88-8
PubChem CID	138472979
IUPAC Name	(1R)-2-(tert-butylamino)-1-(5-fluoro-3-pyridinyl)ethanol
Molecular Formula	C11H17FN2O
Molecular Weight	212.26
XLogP	0.7
Topological Polar Surface Area	45.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	194

SMILES

CC(C)(C)NC[C@@H](C1=CC(=CN=C1)F)O

InChI

InChI=1S/C11H17FN2O/c1-11(2,3)14-7-10(15)8-4-9(12)6-13-5-8/h4-6,10,14-15H,7H2,1-3H3/t10-/m0/s1

InChIKey

SASMSPQPEDQJII-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 2301983-88-8

CID: 138472979

Formula: C11H17FN2O

MW: 212.26

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	212.26
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	212.13249133
Monoisotopic Mass	212.13249133
Topological Polar Surface Area	45.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	194
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes