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632-14-4 | 1,1,3-Trimethylurea
CAS No: 632-14-4 Catalog No: AG003V4S MDL No:MFCD00014868
Product Description
Catalog Number:
AG003V4S
Chemical Name:
1,1,3-Trimethylurea
CAS Number:
632-14-4
Molecular Formula:
C4H10N2O
Molecular Weight:
102.1350
MDL Number:
MFCD00014868
IUPAC Name:
1,1,3-trimethylurea
InChI:
InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)
InChI Key:
COSWCAGTKRUTQV-UHFFFAOYSA-N
SMILES:
CNC(=O)N(C)C
EC Number:
211-169-7
UNII:
RMK4WZ573B
NSC Number:
409292
Properties
Complexity:
70.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.079g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
102.137g/mol
Monoisotopic Mass:
102.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Trimethylurea. | Acta crystallographica. Section C, Crystal structure communications 20120301 |
| Computational thermochemistry of six ureas, imidazolidin-2-one, N,N'-trimethyleneurea, benzimidazolinone, parabanic acid, barbital (5,5'-diethylbarbituric acid), and 3,4,4'-trichlorocarbanilide, with an extension to related compounds. | The journal of physical chemistry. A 20100902 |
| Medium effect on the rotational barrier of N,N,N'-trimethylurea and N,N,N'-trimethylthiourea: experimental and theoretical study. | The journal of physical chemistry. A 20100610 |
| S-oxygenation of thiocarbamides II: Oxidation of trimethylthiourea by chlorite and chlorine dioxide. | The journal of physical chemistry. A 20050217 |
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