| CAS Number | 179167-09-0 |
| Catalog Number | AG0026U6(AGN-PC-0QBIOY) |
| Chemical Name | Carbamic acid, N-[2-[bis(2-aminoethyl)amino]ethyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate |
| InChI | InChI=1S/C11H26N4O2/c1-11(2,3)17-10(16)14-6-9-15(7-4-12)8-5-13/h4-9,12-13H2,1-3H3,(H,14,16) |
| InChI Key | BVAMRLJEVWHBGG-UHFFFAOYSA-N |
| MDL Number | MFCD18433376 |
| Molecular Formula | C11H26N4O2 |
| Molecular Weight | 246.3497 |
| SMILES | NCCN(CCNC(OC(C)(C)C)=O)CCN |
| Synonyms | 179167-09-0,
Bis(2-aminoethyl) 2-(tert-butoxycarbonylamino)ethyl amine,
2N-BOC-2',2''-TRIAMINOTRIETHYLAMINE,
tert-butyl 2-(bis(2-aminoethyl)amino)ethylcarbamate,
Carbamic acid, N-[2-[bis(2-aminoethyl)amino]ethyl]-, 1,1-dimethylethyl ester,
SCHEMBL3795861,
KM5313,
ZINC95495834,
A1-06751,
2,2'-[[2-(tert-Butyloxycarbonylamino)ethyl]imino]bis(ethanamine),
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.355g/mol |
| Monoisotopic Mass | 246.206g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 93.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number