Basic information
- CAS
2131-75-1- Standard SMILES
Cc1ccc(NC(=O)N2CC2)cc1NC(=O)N1CC1- InChIKey
AEZTZOJIMOAEDE-UHFFFAOYSA-N- Molecular formula
- C13H16N4O2
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.12732577
Names & identifiers
- Preferred name
- 2,4-Bis(3,3-ethyleneureido)toluene
- IUPAC
- N-[3-(aziridine-1-carbonylamino)-4-methylphenyl]aziridine-1-carboxamide
Names & synonyms
2,4-Bis(3,3-ethyleneureido)tolueneESK 230Olin 532642,4-Tolylenebis(ethyleneurea)2131-75-1OM 53264H75K4D33KKNSC 26238NSC-26238BRN 0281630AI3-501731-Aziridinecarboxamide, N,N'-(4-methyl-1,3-phenylene)bis-
Show more names
1-AZIRIDINECARBOXAMIDE, N,N'-(4-METHYL-m-PHENYLENE)BIS-DTXSID20175582N,N'-(2,4-Tolylene)bis(1-aziridinecarboxamide)N,N'-Bis-cycloethylenecarbamyl-2,4-diaminotoluene4-20-00-00020 (Beilstein Handbook Reference)N,N'-(4-Methyl-m-phenylene)bis(1-aziridinecarboxamide)N,N'-(4-METHYL-1,3-PHENYLENE)BIS(1-AZIRIDINECARBOXAMIDE)RefChem:82216
Database identifiers
- CAS
2131-75-1- PubChem CID
- 16482
- DTXSID
DTXSID20175582- ChEMBL
CHEMBL1698887- UNII
- H75K4D33KK
- Nikkaji
- J62.387C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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