Basic information
- CAS
72122-60-2- Standard SMILES
O=NN(CCCl)C(=O)NN1CCOCC1- InChIKey
YJUTUEFBQMQKMU-UHFFFAOYSA-N- Molecular formula
- C7H13ClN4O3
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.067618
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-morpholino-1-nitroso-
- IUPAC
- 1-(2-chloroethyl)-3-morpholin-4-yl-1-nitrosourea
- English name
- 1-(2-Chloroethyl)-3-morpholino-1-nitrosourea
- Molecular formula
- C7H13ClN4O3
- Molecular weight
- 236.66
Names & synonyms
Morpholino-cnu72122-60-2Urea, 1-(2-chloroethyl)-3-morpholino-1-nitroso-1-(2-Chloroethyl)-3-morpholino-1-nitrosoureaDTXSID30222435NSC 356538RefChem:387365DTXCID30144926NSC-3565381-(2-chloroethyl)-3-morpholin-4-yl-1-nitrosourea3-(2-chloroethyl)-1-(morpholin-4-yl)-3-nitrosoureaSCHEMBL11186893
Show more names
6U75225KHMNSC356538N-(2-Chloroethyl)-N'-4-morpholinyl-N-nitrosourea1-(2-chloroethyl)-1-nitroso-3-(4-morpholino)-ureaN-(2-Chloroethyl)-N'-(morpholin-4-yl)-N-nitrosoureaUrea, N-(2-chloroethyl)-N'-4-morpholinyl-N-nitroso-
Database identifiers
- CAS
72122-60-2- PubChem CID
- 198541
- DTXSID
DTXSID30222435- UNII
- 6U75225KHM
- Nikkaji
- J60.487I
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Density
- 1.694 · 1.6940 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 6 U75225KHM · 6U75225KHM
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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