AG002HW6

18910-68-4 | Benzyl alcohol, α-[(tert-butylamino)methyl]-4-hydroxy-3-methyl-

AG002HW6

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CAS Number	18910-68-4
Catalog Number	AG002HW6(AGN-PC-0QIFXF)
Chemical Name	Benzyl alcohol, α-[(tert-butylamino)methyl]-4-hydroxy-3-methyl-
IUPAC Name	4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylphenol
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
InChI Key	GELQRPHSNNCPNQ-UHFFFAOYSA-N
MDL Number	MFCD16987634
Molecular Formula	C13H21NO2
Molecular Weight	223.3113
SMILES	CC1=C(C=CC(=C1)C(CNC(C)(C)C)O)O
Synonyms	18910-68-4, 3-Dehydroxy Salbutamol, 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylphenol, 4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-methylphenol, (1RS)-2-[(1,1-DIMETHYLETHYL)AMINO]-1-(4-HYDROXY-3-METHYLPHENYL)ETHANOL, Salbutamol sulfate impurity C, Desoxysalbutamol, SCHEMBL6711726, CTK7J6287, STL484046, AKOS030530227, Benzenemethanol, alpha-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-3-methyl-, Salbutamol EP Impurity C, UNII-152NRR02YD, Albuterol Related Compound A, 152NRR02YD, CS-T-51812,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.157g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	223.316g/mol
Monoisotopic Mass	223.157g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

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