| CAS Number | 2140316-74-9 |
| Catalog Number | AG01EJP7 |
| Chemical Name | Benzyl N-{3-[(3-aminopropyl)carbamoyl]propyl}carbamate hydrochloride |
| IUPAC Name | benzyl N-[4-(3-aminopropylamino)-4-oxobutyl]carbamate;hydrochloride |
| InChI | InChI=1S/C15H23N3O3.ClH/c16-9-5-11-17-14(19)8-4-10-18-15(20)21-12-13-6-2-1-3-7-13;/h1-3,6-7H,4-5,8-12,16H2,(H,17,19)(H,18,20);1H |
| InChI Key | ZZPVKDHFOYFXPP-UHFFFAOYSA-N |
| MDL Number | MFCD31544004 |
| Molecular Formula | C15H24ClN3O3 |
| Molecular Weight | 329.8224 |
| SMILES | NCCCNC(=O)CCCNC(=O)OCc1ccccc1.Cl |
| Synonyms | Benzyl N-{3-[(3-aminopropyl)carbamoyl]propyl}carbamate hydrochloride,
2140316-74-9,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.825g/mol |
| Monoisotopic Mass | 329.151g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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