| CAS Number | 90914-08-2 |
| Catalog Number | AG00IGCC(AGN-PC-0VRCE6) |
| Chemical Name | Boc-dap-bzl hcl |
| IUPAC Name | tert-butyl N-[3-(benzylamino)propyl]carbamate |
| InChI | InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-7-10-16-12-13-8-5-4-6-9-13/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,17,18) |
| InChI Key | MUCVPGXECWXUCZ-UHFFFAOYSA-N |
| MDL Number | MFCD25569757 |
| Molecular Formula | C15H24N2O2 |
| Molecular Weight | 264.3633 |
| SMILES | CC(OC(NCCCNCC1=CC=CC=C1)=O)(C)C |
| Synonyms | Tert-butyl N-[3-(benzylamino)propyl]carbamate,
90914-08-2,
tert-Butyl (3-(benzylamino)propyl)carbamate,
SCHEMBL6559442,
MUCVPGXECWXUCZ-UHFFFAOYSA-N,
ZINC38420153,
AKOS017372033,
AJ-95297,
CS-0035883,
N-(tert-Butoxycarbonyl)-N'-benzyl-1,3-propanediamine,
n-[n-(tert-butyloxycarbonyl)-3-aminopropyl]benzylamine,
Carbamic acid, [3-[(phenylmethyl)amino]propyl]-, 1,1-dimethylethylester,
CID10244573,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.369g/mol |
| Monoisotopic Mass | 264.184g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number