| CAS Number | 140652-55-7 |
| Catalog Number | AG00VRHT(AGN-PC-00P18Q) |
| Chemical Name | N1,N4-Bis-(t-butyloxycarbonyl)-1,5,10,14-tetra-aza-tetradecan |
| IUPAC Name | tert-butyl N-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propyl]carbamate |
| InChI | InChI=1S/C20H42N4O4/c1-19(2,3)27-17(25)23-15-9-13-21-11-7-8-12-22-14-10-16-24-18(26)28-20(4,5)6/h21-22H,7-16H2,1-6H3,(H,23,25)(H,24,26) |
| InChI Key | KBHLGUZPXGDPGO-UHFFFAOYSA-N |
| MDL Number | MFCD24849968 |
| Molecular Formula | C20H42N4O4 |
| Molecular Weight | 402.5719 |
| SMILES | O=C(NCCCNCCCCNCCCNC(OC(C)(C)C)=O)OC(C)(C)C |
| Synonyms | N1,N12-Di-boc-spermine,
140652-55-7,
Spermine(BHHB),
SCHEMBL18347560,
MFCD24849968,
AKOS030214427,
ZINC108644569,
N1,N4-Bis-(t-butyloxycarbonyl)-1,5,10,14-tetra-aza-tetradecan,
N,N'-[Tetramethylenebis(iminotrimethylene)]bis(carbamic acid tert-butyl) ester,
tert-butyl N-[3-({4-[(3-{[(tert-butoxy)carbonyl]amino}propyl)amino]butyl}amino)propyl]carbamate,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.321g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.58g/mol |
| Monoisotopic Mass | 402.321g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number