Trimethylurea
PubChem CID: 12435
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| Compound Synonyms | Trimethylurea, 1,1,3-Trimethylurea, 632-14-4, N,N,N'-Trimethylurea, Urea, trimethyl-, N,N'-Dimethyl-N-methylurea, N,N',N'-Trimethylurea, Trimethylharnstoff, urea, N,N,N'-trimethyl-, UREA, 1,1,3-TRIMETHYL-, EINECS 211-169-7, RMK4WZ573B, NSC 409292, BRN 1743341, UNII-RMK4WZ573B, (CH3)2NCONHCH3, NSC-409292, DTXSID80212548, Trimethylharnstoff [German], 1,3-Trimethylurea, N,N'-Trimethylurea, MFCD00014868, 1,3,3-trimethylurea, Urea,1,3-trimethyl-, Urea, trimethyl-(8CI), SCHEMBL43202, SCHEMBL17122722, SCHEMBL21227019, Urea, trimethyl-(8CI)(9CI), DTXCID10135039, NSC409292, AKOS006221215, AS-87650, NS00035368, G65045, 211-169-7 |
|---|---|
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,3-trimethylurea |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C4H10N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | COSWCAGTKRUTQV-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | 0.96 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.966 |
| Compound Name | Trimethylurea |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.079 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 102.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3946493999999999 |
| Inchi | InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7) |
| Smiles | CNC(=O)N(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients