Basic information
- CAS
13909-14-3- Standard SMILES
O=NN(CCCl)C(=O)NC1CCCCCCCCCCC1- InChIKey
GTKDEBRRAOOCCY-UHFFFAOYSA-N- Molecular formula
- C15H28ClN3O2
- Average molar mass
- 317.85 g/mol
- Monoisotopic mass
- 317.1870048
Names & identifiers
- Preferred name
- Urea, N-(2-chloroethyl)-N'-cyclododecyl-N-nitroso-
- IUPAC
- 1-(2-chloroethyl)-3-cyclododecyl-1-nitrosourea
- English name
- 1-(2-Chloroethyl)-3-cyclododecyl-1-nitrosourea
- Molecular weight
- 0
Names & synonyms
1-(2-Chloroethyl)-3-cyclododecyl-1-nitrosourea13909-14-3N-(2-Chloroethyl)-N'-cyclododecyl-N-nitrosoureaUrea, 1-(2-chloroethyl)-3-cyclododecyl-1-nitroso-Urea, N-(2-chloroethyl)-N'-cyclododecyl-N-nitroso-NSC 91726BRN 2876042Urea, 1-(2-chloroethyl)-3-cyclodecyl-1-nitroso-Urea, N-(2-chloroethyl)-N'-cyclodecyl-N-nitroso-DTXSID70160903RefChem:387985DTXCID9083394
Show more names
Urea, 1-(2-chloroethyl)-3-cyclodecyl-1-nitroso-(8CI)Urea, N-(2-chloroethyl)-N'-cyclodecyl-N-nitroso-(9CI)Urea, N-(2-chloroethyl)-N'-cyclododecyl-N-nitroso-(9CI)NSC-91726NSC91726GW4V2A4G5CCHEMBL12415Urea, N-(2-chloroethyl)-N'-cyclododecyl-N-nitroso- (9CI)
Database identifiers
- CAS
13909-14-3- PubChem CID
- 83809
- DTXSID
DTXSID70160903- ChEMBL
CHEMBL12415- UNII
- GW4V2A4G5C
- Nikkaji
- J48.887I
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
LogP5.64
Physicochemical properties
- Density
- 1.1674 · 1.1674 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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