Urea, 1-nitroso-1,3,3-tris(2-chloroethyl)-
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Basic information
- CAS
69113-01-5- Standard SMILES
O=NN(CCCl)C(=O)N(CCCl)CCCl- InChIKey
KIRNCVMRJCUYPS-UHFFFAOYSA-N- Molecular formula
- C7H12Cl3N3O2
- Average molar mass
- 276.5 g/mol
- Monoisotopic mass
- 274.99951
Names & identifiers
- Preferred name
- Urea, 1-nitroso-1,3,3-tris(2-chloroethyl)-
- IUPAC
- 1,1,3-tris(2-chloroethyl)-3-nitrosourea
- English name
- N-NITROSOTRIS-(2-CHLOROETHYL)UREA
- Molecular formula
- C7H12Cl3N3O2
- Molecular weight
- 276.55
Names & synonyms
69113-01-51,1,3-tris(2-chloroethyl)-3-nitrosoureaN-Nitrosotris-(2-chloroethyl)urea 90%N-NITROSOTRIS-(2-CHLOROETHYL)UREAUrea, 1-nitroso-1,3,3-tris(2-chloroethyl)-89774-74-3Ethanimidamide,N-[(butylamino)carbonyl]-2,2,2-trichloro-N-hydroxy-Nitrosotris(chloroethyl)ureaBRN 22759353-Nitroso-1,1,3-tris(chloroethyl)ureaC7H12Cl3N3O2n-nitroso-tris-chloroethylurea
Show more names
Carmustine ImpurityTris(2-chloroethyl)nitroso-1-nitroso-1,3,3-tris(2-chloroethyl)-ureN,N,N'-Tris(2-chloroethyl)-N'-nitroso-ureaUrea, N,N,N'-tris(2-chloroethyl)-N'-nitroso-
1-Nitroso-1,3,3-tris-(2-chloroethyl)ureaUrea,N,N,N'-tris(2-chloroethyl)-N'-nitroso-orb3175027SCHEMBL3138606DTXSID00219175MFCD01675844AKOS030239946N-Nitrosotris-(2-chloroethyl)urea (90%)
Database identifiers
- CAS
69113-01-5- PubChem CID
- 198521
- DTXSID
DTXSID00219175- Nikkaji
- J59.513F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 345.6 · 345.6±52.0 °C(Predicted)
- Density
- 1.8 · 1.8000 (rough estimate)
- refractive index
- 1.649 · 1.6490 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Ethyl Acetate (Sparingly), Methanol (Slightly)
- form
- Oil
- pka
- -2.15 · -2.15±0.70(Predicted)
- color
- Yellow to Dark Yellow
- Stability
- Unstable at Room Temperature
- CAS DataBase Reference
- 69113 · 69113-01-5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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