Urea, N-(2-chloroethyl)-N'-(2-hydroxycyclohexyl)-N-nitroso-, trans-
Basic information
- CAS
58494-43-2- Standard SMILES
O=NN(CCCl)C(=O)N[C@@H]1CCCC[C@H]1O- InChIKey
STQSMIAHSQBRBH-HTQZYQBOSA-N- Molecular formula
- C9H16ClN3O3
- Average molar mass
- 249.69 g/mol
- Monoisotopic mass
- 249.0880191
Names & identifiers
- Preferred name
- Urea, N-(2-chloroethyl)-N'-(2-hydroxycyclohexyl)-N-nitroso-, trans-
- IUPAC
- 1-(2-chloroethyl)-3-[(1R,2R)-2-hydroxycyclohexyl]-1-nitrosourea
Names & synonyms
58494-43-2DTXSID30207207Urea, N-(2-chloroethyl)-N'-(2-hydroxycyclohexyl)-N-nitroso-, trans-RefChem:1100824DTXCID90129698trans-2-OH-CCNUtrans-2-OH CCNUNSC 253947N-(2-Chloroethyl)-N'-(trans-2-hydroxycyclohexyl)-N-nitrosourea1-(2-Chloroethyl)-3-(trans-2-hydroxycyclohexyl)-1-nitrosoureaCHEMBL2051745NSC253947
Show more names
Urea, 1-(2-chloroethyl)-3-(trans-2-hydroxycyclohexyl)-1-nitroso-Urea, N-(2-chloroethyl)-N'-(2-hydroxycyclohexyl)-N-nitroso-, trans- (9CI)NSC-253947N-(2-Chloroethyl)-N'-[(1R,2R)-2-hydroxycyclohexyl]-N-nitrosourea
Database identifiers
- CAS
58494-43-2- PubChem CID
- 94083
- DTXSID
DTXSID30207207- ChEMBL
CHEMBL2051745- Nikkaji
- J419.376H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
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Related reactions
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Compound notes
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