Basic information
- CAS
399550-08-4- Standard SMILES
NCCNc1[nH]c(=O)[nH]c(=O)c1Cl- InChIKey
UBIZYYDQUSJYIT-UHFFFAOYSA-N- Molecular formula
- C6H9ClN4O2
- Average molar mass
- 204.61 g/mol
- Monoisotopic mass
- 204.0414032
Overview
an antiangiogenic and antineoplastic agent; structure in first source
Names & identifiers
- Preferred name
- 6-(2-Aminoethyl)amino-5-chlorouracil
- IUPAC
- 6-(2-aminoethylamino)-5-chloro-1H-pyrimidine-2,4-dione
- English name
- 6-(2-Aminoethyl)amino-5-chlorouracil
- Molecular formula
- C6H9ClN4O2
- Molecular weight
- 204.61
Names & synonyms
399550-08-46-(2-Aminoethyl)amino-5-chlorouracilDTXSID50328064AEAC cpdRefChem:103990DTXCID602791746-((2-Aminoethyl)amino)-5-chloropyrimidine-2,4(1H,3H)-dione6-(2-aminoethylamino)-5-chloro-1H-pyrimidine-2,4-dione6-[(2-aminoethyl)amino]-5-chloropyrimidine-2,4(1h,3h)-dioneNSC7225902,4(1H,3H)-Pyrimidinedione, 6-[(2-aminoethyl)amino]-5-chloro-SCHEMBL3820539
Show more names
AKOS028108662NSC-722590SB601936-(2-aminoethyl) amino-5-chlorouracilA11142F8131982,3H)-Pyrimidinedione,6-[(2-aminoethyl)amino]-5-chloro-
Database identifiers
- CAS
399550-08-4- PubChem CID
- 405362
- DTXSID
DTXSID50328064- Nikkaji
- J1.661.394K
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 8.25 · 8.25±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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