4-[[Bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol

HCID 612906
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
799-25-7
Standard SMILES
CC(C)(C)c1cc(CN(CCO)CCO)cc(C(C)(C)C)c1O
InChIKey
WUXCIWVRVOPALZ-UHFFFAOYSA-N
Molecular formula
C19H33NO3
Average molar mass
323.5 g/mol
Monoisotopic mass
323.24604392

Overview

4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol is an alkylbenzene.

Names & identifiers

Preferred name
4-[[Bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
IUPAC
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
English name
Phenol, 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-bis(1,1-dimethylethyl)-
Molecular formula
C19H33NO3
Molecular weight
323.47

Names & synonyms

799-25-72,2'-((3,5-di-tert-Butyl-4-hydroxybenzyl)azanediyl)bis(ethan-1-ol)4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenolPhenol, 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-bis(1,1-dimethylethyl)-4-{[bis(2-hydroxyethyl)amino]methyl}-2,6-di-tert-butylphenol4-([BIS(2-HYDROXYETHYL)AMINO]METHYL)-2,6-DI-TERT-BUTYLPHENOLCDS1_002707starbld0001176ChemDiv1_018963CBKinase1_000062CBKinase1_012462Cambridge id 5243661
Show more names
Oprea1_118100Oprea1_462432MLS000061165DivK1c_003747CHEMBL454893SCHEMBL5991371HMS640N21WLZ3375

Database identifiers

CAS
799-25-7
PubChem CID
612906
DTXSID
DTXSID501352186
ChEMBL
CHEMBL454893
ChEBI
CHEBI:112351
Nikkaji
J1.065.658C

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
63.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
23

Physicochemical properties

Melting point
104 °C · 104 °C
Boiling point
426.3 · 426.3±40.0 °C(Predicted)
Density
1.057 · 1.057±0.06 g/cm3(Predicted)
pka
12.07 · 12.07±0.40(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319
Precautionary statements
P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Chemistry & industry

Suppliers10 total

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]

Additional notes

DefinitionChEBI: 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol is an alkylbenzene.

Related reactions

1 records
New reaction record

Compound notes

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CAS 799-25-7 4-[[Bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol (HCID 612906)｜Huagongshe