Tulobuterol Impurity 20

CAT: 1299-RM-T120220-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T120220-01Size:10 mg

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CAS Number

18366-40-0

Synonyms

2- (tert-butylamino) -1-phenylethanol

Molecular Formula

C12H19NO

Molecular Weight

193.29

Target Alternative Name

Tulobuterol

Product Name Synonym

2- (tert-butylamino) -1-phenylethanol

Chemical Information

2-(tert-Butylamino)-1-phenylethanol

CAS Number	18366-40-0
PubChem CID	533905
IUPAC Name	2-(tert-butylamino)-1-phenylethanol
Molecular Formula	C12H19NO
Molecular Weight	193.28
XLogP	1.6
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	156

SMILES

CC(C)(C)NCC(C1=CC=CC=C1)O

InChI

InChI=1S/C12H19NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3

InChIKey

NRVOOKOHYKJCPB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18366-40-0

CID: 533905

Formula: C12H19NO

MW: 193.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.28
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	193.146664230
Monoisotopic Mass	193.146664230
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	156
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes