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Pharmaceutical Intermediates
N1,N2-bis(4-hydroxy-2,6-dimethylphenyl)oxalamide
CAS:
1809288-95-6
MW:
328.4
MF:
C18H20N2O4
 
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Names and ldentifier
Properties
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
N1,N2-bis(4-hydroxy-2,6-dimethylphenyl)oxalamide
1.2 Synonyms
BS-15698; Ethanediamide, N1,N2-bis(4-hydroxy-2,6-dimethylphenyl)-; N,N'-Bis(4-hydroxy-2,6-dimethylphenyl)ethanediamide; N,N'-bis(4-hydroxy-2,6-dimethylphenyl)oxamide; N1,N2-bis(4-hydroxy-2,6-dimethylphenyl)oxalamide;
1.3 CAS No.
1809288-95-6
1.4 CID
126500385
1.5 Molecular Formula
C18H20N2O4
1.6 Inchi
InChI=1S/C18H20N2O4/c1-9-5-13(21)6-10(2)15(9)19-17(23)18(24)20-16-11(3)7-14(22)8-12(16)4/h5-8,21-22H,1-4H3,(H,19,23)(H,20,24)
1.7 InChkey
VGDOSNKYJILNDC-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=CC(=C1NC(=O)C(=O)NC2=C(C=C(C=C2C)O)C)C)O
1.9 Isomers Smiles
CC1=CC(=CC(=C1NC(=O)C(=O)NC2=C(C=C(C=C2C)O)C)C)O
2. Properties
2.1 Storage
Sealed in dry,Room Temperature
2.2 pKa
9.73±0.36(Predicted)
3. Computed Properties
Molecular Weight:
328.4g/mol
Molecular Formula:
C
18
H
20
N
2
O
4
Compound Is Canonicalized:
True
Exact Mass:
3.1
XLogP3-AA:
328.14230712
Monoisotopic Mass:
328.14230712
Complexity:
404
Rotatable Bond Count:
2
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
4
Topological Polar Surface Area:
98.7
Heavy Atom Count::
24
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADAyBmAAyxoLAAgCIAiVSUACCAAAhIAAAiACGTIgIZiLCkbOUcAhkxBHI2AewwFAOAEADAAACAAAAgAYAAAQAAAAAAAAAAA==
4. Toltal 2 Suppliers
View more
Wuhan Circle Star Chem-medical Technology Co.,Ltd
1YR
Tel:
Update Time:
2024/11/15
inquire
Jinan guoding pharmaceutical co.,ltd
Tel:
Update Time:
2024/09/13
inquire
5. Realated Product Infomation
N,N'-Bis(2,4,6-trimethoxyphenyl)oxalamide (BTMPO)
cas:957476-07-2
N1,N2-bis(thiophen-2-ylmethyl)oxalamide
cas:920366-91-2
N,N'-Bis-cyanomethyl-N,N'-bis-(3-methoxycarbonyl-phenyl)-oxalamide
cas:1820711-08-7
BIS(4-HYDROXY-3,5-DIMETHYLPHENYL) SULFONE
cas:13288-70-5
2,2-BIS(4-HYDROXY-3,5-DIMETHYLPHENYL)PROPANE
cas:5613-46-7
N1-cyclopropyl-N2-(1-phenylethyl)oxalamide
cas:311791-16-9
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2. Properties
2.1 Storage
2.2 pKa
3.
Computational chemical data
4.
Toltal 2 Suppliers
5.
Realated Product Infomation
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