| CAS Number | 1330180-06-7 |
| Catalog Number | AG01C2SK |
| Chemical Name | tert-butyl N-(1-carbamimidoylethyl)carbamate hydrochloride |
| IUPAC Name | tert-butyl N-(1-amino-1-iminopropan-2-yl)carbamate;hydrochloride |
| InChI | InChI=1S/C8H17N3O2.ClH/c1-5(6(9)10)11-7(12)13-8(2,3)4;/h5H,1-4H3,(H3,9,10)(H,11,12);1H |
| InChI Key | LYBYSYDYQLVOFF-UHFFFAOYSA-N |
| MDL Number | MFCD14696675 |
| Molecular Formula | C8H18ClN3O2 |
| Molecular Weight | 223.7004 |
| SMILES | Cl.CC(C(N)=N)NC(OC(C)(C)C)=O |
| Synonyms | tert-butyl N-(1-carbamimidoylethyl)carbamate hydrochloride,
1330180-06-7,
EN300-252880,
Z2301438421,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.701g/mol |
| Monoisotopic Mass | 223.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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