Basic information
- CAS
10029-24-0- Standard SMILES
COC(=O)C(C)(C)Nc1ccc(Cc2ccc(NC(C)(C)C(=O)OC)cc2)cc1- InChIKey
XJQDOEYAAOYHLG-UHFFFAOYSA-N- Molecular formula
- C23H30N2O4
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.22055744
Overview
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Names & identifiers
- Preferred name
- Dimethyl N,N'-(methylenedi-4,1-phenylene)bis(2-methyl-beta-alaninate)
- IUPAC
- methyl 2-[4-[[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]phenyl]methyl]anilino]-2-methylpropanoate
- English name
- dimethyl N,N'-(methylenedi-4,1-phenylene)bis[2-methyl-beta-alaninate]
- Molecular formula
- C23H30N2O4
- Molecular weight
- 398.5
Names & synonyms
10029-24-0Dimethyl N,N'-(methylenedi-4,1-phenylene)bis(2-methyl-beta-alaninate)Dimethyl N,N'-(methylenedi-4,1-phenylene)bis[2-methyl-beta-alaninate]EINECS 233-076-0XJQDOEYAAOYHLG-UHFFFAOYSA-Nmethyl 2-[4-[[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]phenyl]methyl]anilino]-2-methylpropanoateSCHEMBL11063035DTXSID60143109dimethyl N,N/'-(methylenedi-4,1-phenylene)bis[2-methyl-beta-alaninate]NS00022964Dimethyl 2,2'-[methylenebis(4,1-phenyleneazanediyl)]bis(2-methylpropanoate)dimethyl N,N'-(methylenedi-4,1-phenylene)bis[2-methyl-β-alaninate]
Show more names
N,N'-(Methylenedi-4,1-phenylene)bis(2-methylalanine)dimethyl esterAlanine,N,N'-(methylenedi-4,1-phenylene)bis[2-methyl-,dimethyl esterAlanine, N,N'-(methylenedi-4,1-phenylene)bis[2-methyl-, dimethyl ester2,2'-[Methylenebis(4,1-phenyleneimino)]bis(2-methylpropionic acid methyl) ester
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Boiling point
- 518.787 · 518.787±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.308 · 2.308±0.50(predicted)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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