| CAS Number | 82414-35-5 |
| Catalog Number | AG01CBM8(AGN-PC-0JQ2D5) |
| Chemical Name | Acetamide, N-[3-[[4-(acetylamino)butyl]amino]propyl]- |
| IUPAC Name | N-[4-(3-acetamidopropylamino)butyl]acetamide |
| InChI | InChI=1S/C11H23N3O2/c1-10(15)13-8-4-3-6-12-7-5-9-14-11(2)16/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16) |
| InChI Key | BKCVMAZDKFQPHB-UHFFFAOYSA-N |
| MDL Number | MFCD08458488 |
| Molecular Formula | C11H23N3O2 |
| Molecular Weight | 229.3192 |
| SMILES | C(C)(=O)NCCCCNCCCNC(C)=O |
| Synonyms | N1,N8-diacetylspermidine,
N-[4-(3-acetamidopropylamino)butyl]acetamide,
NSC685959,
AC1L8YB7,
82414-35-5,
SCHEMBL2128046,
CHEMBL2008816,
CHEBI:139328,
NCI60_030941,
N-[4-(3-acetamido-propylamino)-butyl]-acetamide,
N-(3-((4-(Acetylamino)butyl)amino)propyl)acetamide hydrochloride,
diacetylspermidine,
AIDS159068,
CID389613,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.324g/mol |
| Monoisotopic Mass | 229.179g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number