Methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoate

HCID 11086725CAS 27566-09-2
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cc(C(O)CNC(C)(C)C)ccc1O
InChIKey
HWLMCRZJMPDSRW-UHFFFAOYSA-N
Molecular formula
C14H21NO4
Average molar mass
267.32 g/mol

Names & identifiers

Preferred name
Methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoate
IUPAC
methyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate
English name
Levothyroxine Sodium impurity
Molecular formula
C14H21NO4
Molecular weight
267.32

Names & synonyms

27566-09-2methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoatemethyl 5-(2-(tert-butylamino)-1-hydroxyethyl)-2-hydroxybenzoate6VA6FJL3QTSCHEMBL2585166HWLMCRZJMPDSRW-UHFFFAOYSA-NDB-360811(+/-)-Methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxybenzoateBenzoic acid,5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxy-,methyl esterSalbutamol Impurity 47Salbutamol Impurity 72Salbutamol Impurity 114
Show more names
Venadaparib Impurity 52Salbutamol Impurity 121Salbutamol EP Impurity 40Salbutamol Impurity IIa-6Levothyroxine Sodium IMPLevothyroxine Sodium impurityLevothyroxine sodium intermediate

Database identifiers

CAS
27566-09-2
PubChem CID
11086725
UNII
6VA6FJL3QT

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
78.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
19

Physicochemical properties

Boiling point
416.7 · 416.7±45.0 °C(Predicted)
Density
1.153 · 1.153±0.06 g/cm3(Predicted)
pka
9.6 · 9.60±0.31(Predicted)

Chemistry & industry

Suppliers16 total

天津始加生物医药科技有限公司15022261580 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
常州博瑞生物科技有限公司13656121842 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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