Acetic acid;2-[3-(2-amino-5-methylphenoxy)-4,4-diethylhexan-3-yl]oxy-4-methylaniline
Basic information
- CAS
73630-10-1- Standard SMILES
CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCC(CC)(CC)C(CC)(Oc1cc(C)ccc1N)Oc1cc(C)ccc1N- InChIKey
LCNFDKOJZHARQZ-UHFFFAOYSA-N- Molecular formula
- C32H52N2O10
- Average molar mass
- 624.8 g/mol
- Monoisotopic mass
- 624.36219586
Names & identifiers
- Preferred name
- Acetic acid;2-[3-(2-amino-5-methylphenoxy)-4,4-diethylhexan-3-yl]oxy-4-methylaniline
- IUPAC
- acetic acid;2-[3-(2-amino-5-methylphenoxy)-4,4-diethylhexan-3-yl]oxy-4-methylaniline
- English name
- 1,2-Bis(2-amino-5-methylphenoxy)ethane-n ,n,n'n'-te
- Molecular formula
- C32H44N2O10
- Molecular weight
- 616.7
Names & synonyms
73630-10-1DTXSID60703626Acetic acid--2,2'-[(4,4-diethylhexane-3,3-diyl)bis(oxy)]bis(4-methylaniline) (4/1)1,2-bis(2-amino-5-methylphenoxy)*ethane-N,N,N'N'-1,2-Bis(2-amino-5-methylphenoxy)ethane-n ,n,n'n'-tetetraethyl bis(2-amino-5-methylphenoxy)ethane tetraacetateTETRAETHYL 1,2-BIS(2-AMINO-5-METHYLPHENOXY)ETHANE-N,N,N',N'-TETRAACETATETETRAETHYL 1,2-BIS(2-AMINO-5-METHYLPHENOXY)ETHANE-N,N,N',N'-TETRAACETATETETRAETHYL 1,2-BIS(2-AMINO-5-ME-PHENOXY)-ETHANE-N,N,N'',N''-TETRA- ACETATE)1,2-Bis(2-amino-5-methylphenoxy)ethane-N,N,Nμ,Nμ-tetraacetic acid tetraethyl esterGlycine, N,N'-[1,2-ethanediylbis[oxy(4-methyl-2,1-phenylene)]]bis[N-(2-ethoxy-2-oxoethyl)-, 1,1'-diethyl ester
Database identifiers
- CAS
73630-10-1- PubChem CID
- 53471397
- DTXSID
DTXSID60703626
Properties
Computed structural properties
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Boiling point
- 699.5 · 699.5±55.0 °C(Predicted)
- Density
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- pka
- 2.99 · 2.99±0.50(Predicted)
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