Salbutamol EP impurity C

CAT: 0926-FS168555-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FS168555-01Size:5 mg

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CAS Number

18910-68-4

Smiles

CC1=C (C=CC (=C1) C (CNC (C) (C) C) O) O

Molecular Formula

C13H21NO2

Molecular Weight

223.31 g/mol

Controlled

Chemical Information

4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-methylphenol

CAS Number	18910-68-4
PubChem CID	57368089
IUPAC Name	4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylphenol
Molecular Formula	C13H21NO2
Molecular Weight	223.31
XLogP	1.6
Topological Polar Surface Area	52.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	212

SMILES

CC1=C(C=CC(=C1)C(CNC(C)(C)C)O)O

InChI

InChI=1S/C13H21NO2/c1-9-7-10(5-6-11(9)15)12(16)8-14-13(2,3)4/h5-7,12,14-16H,8H2,1-4H3

InChIKey

GELQRPHSNNCPNQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18910-68-4

CID: 57368089

Formula: C13H21NO2

MW: 223.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.31
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	223.157228913
Monoisotopic Mass	223.157228913
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	212
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

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