4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
87640-31-1- Standard SMILES
CN(C(=O)N(CCCl)N=O)C1CCC(C(=O)O)CC1- InChIKey
DCZXFFVFQJNEQG-UHFFFAOYSA-N- Molecular formula
- C11H18ClN3O4
- Average molar mass
- 291.73 g/mol
- Monoisotopic mass
- 291.0985838
Names & identifiers
- Preferred name
- 4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid
- IUPAC
- 4-[[2-chloroethyl(nitroso)carbamoyl]-methylamino]cyclohexane-1-carboxylic acid
- English name
- 4-((((2-chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid
- Molecular weight
- 0
Names & synonyms
87640-31-1NSC-2605984-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acidN-Me-cis-AcidN-Me-CCCNUNSC260598NSC 260598H3BE3JJK75CHEMBL2641994-[[2-chloroethyl(nitroso)carbamoyl]-methylamino]cyclohexaneDTXSID701007709cis-4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid
Show more names
DS-0051764-[(2-Chloroethyl-nitroso-carbamoyl)-methyl-amino]cyclohexane-1-carboxylic acid4-{[(2-Chloroethyl)(nitroso)carbamoyl](methyl)amino}cyclohexane-1-carboxylic acidcis-4-[[(2-chloroethyl)-(nitroso)aminocarbonyl](methyl)amino]cyclohexanoic acidCyclohexanecarboxylic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)methylamino)-Cyclohexanecarboxylic acid, 4-[[[(2-chloroethyl)nitrosoamino]carbonyl]methylamino]-, cis-
Database identifiers
- CAS
87640-31-1- PubChem CID
- 99658
- DTXSID
DTXSID701007709- ChEMBL
CHEMBL264199- UNII
- H3BE3JJK75
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…