Basic information
- CAS
106612-15-1- Standard SMILES
CC(O)CNC(=O)N(CCCl)N=O- InChIKey
AJHUUBJNVIKBGO-UHFFFAOYSA-N- Molecular formula
- C6H12ClN3O3
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0567189
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-Nitroso-1-(2-chloroethyl)-3-(2-hydroxypropyl)urea
- IUPAC
- 1-(2-chloroethyl)-3-(2-hydroxypropyl)-1-nitrosourea
- English name
- 1-nitroso-1-(2-chloroethyl)-3-(2-hydroxypropyl)urea
- Molecular weight
- 0
Names & synonyms
106612-15-11-Nitroso-1-(2-chloroethyl)-3-(2-hydroxypropyl)urea8588X0A7T0Urea, N-(2-chloroethyl)-N'-(2-hydroxypropyl)-N-nitroso-DTXSID00873473RefChem:76603DTXCID401011727N-(2-Chloroethyl)-N'-(2-hydroxypropyl)-N-nitrosoureaCCRIS 42451-Nitroso-1-chloroethyl-3-hydroxypropylureaUNII-8588X0A7T0Q27269612
Database identifiers
- CAS
106612-15-1- PubChem CID
- 129381
- DTXSID
DTXSID00873473- UNII
- 8588X0A7T0
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- FDA UNII
- 8588 X0A7T0 · 8588X0A7T0
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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