Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (E)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
60285-32-7- Standard SMILES
COC(=O)C1CCC(NC(=O)N(CCCl)N=O)CC1- InChIKey
YSVWGWBSXUMUGW-KYZUINATSA-N- Molecular formula
- C11H18ClN3O4
- Average molar mass
- 291.73 g/mol
- Monoisotopic mass
- 291.0985838
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (E)-
- IUPAC
- methyl 4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
- English name
- 4β-[3-(2-Chloroethyl)-3-nitrosoureido]-1α-cyclohexanecarboxylic acid methyl ester
- Molecular formula
- C11H18ClN3O4
- Molecular weight
- 291.73
Names & synonyms
NSC 155948Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (E)-61137-47-1DTXSID60210027Cyclohexanecarboxylic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, methyl ester, ttrans-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid methyl esterRefChem:335341DTXCID6013251860285-32-7NSC-155948Methyl trans-4-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]cyclohexanecarboxylateNSC 155950
Show more names
4β-[3-(2-Chloroethyl)-3-nitrosoureido]-1α-cyclohexanecarboxylic acid methyl esterCyclohexanecarboxylic acid, 4-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-, methyl ester, trans-
cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid methyl esterCyclohexanecarboxylic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, methyl ester, cCyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, (Z)-D23Y4H4GEZCHEMBL2051746CHEMBL2051939DTXSID201382728NSC155948
Database identifiers
- CAS
60285-32-7、61137-47-1- PubChem CID
- 98636
- DTXSID
DTXSID201382728- ChEMBL
CHEMBL2051746、CHEMBL2051939- UNII
- D23Y4H4GEZ
- Nikkaji
- J75.366A、J75.367J
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 10.54 · 10.54±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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