RefChem:211668
N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]aniline;oxalic acid
Also Known As: 1(2H)-Pyrimidineethanamine, tetrahydro-3-butyl-N-phenyl-, ethanedioate, hydrate (1:2:1)|N-(2-(3-n-Butylhexahydropyrimidino)ethyl)aniline oxalate hydrate|Tetrahydro-3-butyl-N-phenyl-1(2H)-pyrimidineethanamine ethanedioate, hydrate (1:2:1)|N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]aniline; oxalic acid|Oxalic acid--N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]aniline (2/1)
CAS: 77869-65-9
| Molecular Formula | C20H31N3O8 |
|---|---|
| Molecular Weight | 441.21112 g/mol |
| LogP | 1.175 |
| Topological Polar Surface Area | 167.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.21112 |
| Monoisotopic Mass | 441.21112 |
| Heavy Atoms | 31 |
| Complexity | 636.2623 |
Chemical Identifiers
| CAS Number | 77869-65-9 |
|---|---|
| SMILES | CCCCN1CCCN(C1)CCNC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
RefChem:211668 (CAS 77869-65-9), with molecular formula C20H31N3O8 and molecular weight 441.21112 g/mol. IUPAC: N-[2-(3-butyl-1,3-diazinan-1-yl)ethyl]aniline;oxalic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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