Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester
Basic information
- CAS
13991-74-7- Standard SMILES
CCOC(=O)C1(NC(=O)N(CCCl)N=O)CCCCC1- InChIKey
FPIQZBQZKBKLEI-UHFFFAOYSA-N- Molecular formula
- C12H20ClN3O4
- Average molar mass
- 305.76 g/mol
- Monoisotopic mass
- 305.1142338
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester
- IUPAC
- ethyl 1-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
- English name
- 1-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexanecarboxylic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
13991-74-7Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl esterDTXSID10161196Cyclohexanecarboxylic acid, 1-[3-(2-chloroethyl)-3-nitrosoureido]-, ethyl esterRefChem:1082516DTXCID9083687NSC 95443Cyclohexanecarboxylic acid,BRN 2885796NSC954431-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid ethyl esterethyl 1-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
Show more names
1-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexanecarboxylic acid ethyl ester
CHEMBL12687NSC-95443Cyclohexanecarboxylic acid, 1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-,Ethyl 1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}cyclohexane-1-carboxylate
Database identifiers
- CAS
13991-74-7- PubChem CID
- 98268
- DTXSID
DTXSID10161196- ChEMBL
CHEMBL12687- Nikkaji
- J75.364E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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