| CAS Number | 122248-82-2 |
| Catalog Number | AG009FH7(AGN-PC-0PFZWZ) |
| Chemical Name | 1,5-bis-Boc-1,5,9-triazanonane |
| IUPAC Name | tert-butyl N-(3-aminopropyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate |
| InChI | InChI=1S/C16H33N3O4/c1-15(2,3)22-13(20)18-10-8-12-19(11-7-9-17)14(21)23-16(4,5)6/h7-12,17H2,1-6H3,(H,18,20) |
| InChI Key | BRTHUYVAYIKJPD-UHFFFAOYSA-N |
| MDL Number | MFCD12408086 |
| Molecular Formula | C16H33N3O4 |
| Molecular Weight | 331.4509 |
| SMILES | NCCCN(C(OC(C)(C)C)=O)CCCNC(=O)OC(C)(C)C |
| Synonyms | 1,5-Bis-Boc-1,5,9-triazanonane,
122248-82-2,
SCHEMBL4370840,
4634AH,
MFCD12408086,
ZINC36377512,
AKOS025404008,
DA-14177,
N-(3-aminopropyl)-N-[3-[[(1,1-dimethylethoxy)carbonyl]amino]propyl]Carbamic acid 1,1-dimethylethyl ester,
FT-0752986,
A-7607,
BRTHUYVAYIKJPD-UHFFFAOYSA-N,
C16H33N3O4,
CID11739045,
Tert-butyl N-(3-aminopropyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.247g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.457g/mol |
| Monoisotopic Mass | 331.247g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 93.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number