Basic information
- CAS
2482-80-6- Standard SMILES
Clc1cc(N2CC2)nc(N2CC2)n1- InChIKey
CUINYHNUVZSCAS-UHFFFAOYSA-N- Molecular formula
- C8H9ClN4
- Average molar mass
- 196.64 g/mol
- Monoisotopic mass
- 196.051574
Overview
structure
Names & identifiers
- Preferred name
- Ethymidine
- IUPAC
- 2,4-bis(aziridin-1-yl)-6-chloropyrimidine
- English name
- 2,6-Bis(1-aziridinyl)-4-chloropyrimidine
- Molecular formula
- C8H9ClN4
- Molecular weight
- 196.64
Names & synonyms
EthimidineEthymidine2482-80-62,4-Diethylenimino-6-chloropyrimidine2,4-Bis(1-aziridinyl)-6-chloropyrimidineJT52VCJ6XCNSC-48225DTXSID20179520RefChem:138401DTXCID80102011AethimidinumEtimidin
Show more names
NSC 48225Pyrimidine, 2,4-bis(1-aziridinyl)-6-chloro-
2,6-Bis(1-aziridinyl)-4-chloropyrimidine2,4-bis(aziridin-1-yl)-6-chloropyrimidine2,6-Diethylenimino-4-chloropyrimidineSQ 77104-Chloro-2,6-bis(ethylenimino)pyrimidine2,4-di(aziridin-1-yl)-6-chloropyrimidineAethimidiniumA 1
Database identifiers
- CAS
2482-80-6- PubChem CID
- 96014
- DTXSID
DTXSID20179520- ChEMBL
CHEMBL443197- UNII
- JT52VCJ6XC
- Nikkaji
- J70.292G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 94 · 94-95 °C
- Boiling point
- 322.13 °C · 322.13°C (rough estimate)
- Density
- 1.2961 · 1.2961 (rough estimate)
- refractive index
- 1.611 · 1.6110 (estimate)
- pka
- 0.99 · 0.99±0.50(Predicted)
- FDA UNII
- 52 VCJ6XC · JT52VCJ6XC
Chemistry & industry
Applications
UsesEthimidine (Aethimidinum) can reduce the blood serum free SH (sulfhydryl) in in rats previously transplanted with sarcoma or carcinoma cells[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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