Basic information
- CAS
730949-91-4- Standard SMILES
CCCCN(C(=O)CCl)c1c(N)n(CCCC)c(=O)[nH]c1=O- InChIKey
SKNUWCJPKWKNGJ-UHFFFAOYSA-N- Molecular formula
- C14H23ClN4O3
- Average molar mass
- 330.81 g/mol
- Monoisotopic mass
- 330.1458683
Names & identifiers
- Preferred name
- N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-butyl-2-chloroacetamide
- IUPAC
- N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-chloroacetamide
- English name
- N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-N-butyl-2-chloro-acetamide
- Molecular formula
- C14H23ClN4O3
- Molecular weight
- 330.81
Names & synonyms
N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-butyl-2-chloroacetamide730949-91-4DTXSID401124071AKOS001042124N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-chloroacetamideUPCMLD0ENAT0519-7888:001EN300-06592Z56943437N-(6-Amino-1-butyl-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-chloroacetamideN-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-N-butyl-2-chloro-acetamideAcetamide, N-(6-amino-1-butyl-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-chloro-
Database identifiers
- CAS
730949-91-4- PubChem CID
- 2393536
- DTXSID
DTXSID401124071
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 8.44 · 8.44±0.40(Predicted)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…