Basic information
- CAS
60784-47-6- Standard SMILES
O=NN(CCCl)C(=O)NCCCO- InChIKey
SZRUDGOANPYZEE-UHFFFAOYSA-N- Molecular formula
- C6H12ClN3O3
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0567189
Names & identifiers
- Preferred name
- N-(2-Chloroethyl)-N'-(3-hydroxypropyl)-N-nitrosourea
- IUPAC
- 1-(2-chloroethyl)-3-(3-hydroxypropyl)-1-nitrosourea
- English name
- 3-(2-Chloroethyl)-1-(3-hydroxypropyl)-3-nitrosourea
- Molecular formula
- C6H12ClN3O3
- Molecular weight
- 209.63
Names & synonyms
60784-47-6Urea, 3-(2-chloroethyl)-1-(3-hydroxypropyl)-3-nitroso-DTXSID40209611N-(2-Chloroethyl)-N'-(3-hydroxypropyl)-N-nitrosoureaRefChem:1091007DTXCID901321023-(2-Chloroethyl)-1-(3-hydroxypropyl)-3-nitrosourea1-(2-Chloroethyl)-3-(3-hydroxypropyl)-1-nitrosourea1-(3-Hydroxypropyl)-cnuBRN 1961506DB368H23MDUrea, N-(2-chloroethyl)-N'-(3-hydroxypropyl)-N-nitroso-
Show more names
DB-303752CHLOROETHYL)-3-(3-HYDROXYPROPYL)-1-NITROSOUREA, 1-(2-
Database identifiers
- CAS
60784-47-6- PubChem CID
- 148902
- DTXSID
DTXSID40209611- UNII
- DB368H23MD
- Nikkaji
- J83.877B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 114.75 °C · 114.75°C (rough estimate)
- Density
- 1.6182 · 1.6182 (rough estimate)
- refractive index
- 1.581 · 1.5810 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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