| CAS Number | 1914155-12-6 |
| Catalog Number | AG002F80(AGN-PC-0WAMI1) |
| Chemical Name | Carbamic acid, N-(4-amino-2-buten-1-yl)-, 1,1-dimethylethyl ester, hydrochloride (1:1) |
| IUPAC Name | tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate;hydrochloride |
| InChI | InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-7-5-4-6-10;/h4-5H,6-7,10H2,1-3H3,(H,11,12);1H/b5-4+; |
| InChI Key | NLKDWOLDLXTIOX-FXRZFVDSSA-N |
| MDL Number | MFCD29918420 |
| Molecular Formula | C9H19ClN2O2 |
| Molecular Weight | 222.7124 |
| SMILES | Cl.NCC=CCNC(OC(C)(C)C)=O |
| Synonyms | tert-Butyl (4-aminobut-2-en-1-yl)carbamate hydrochloride,
1914155-12-6,
AK308564,
(E)-tert-Butyl (4-aminobut-2-en-1-yl)carbamate hydrochloride,
MFCD29918420,
AKOS027250590,
AS-49781,
tert-butyl 4-aminobut-2-enylcarbamate hcl,
CS-0084784,
Carbamic acid, N-(4-amino-2-buten-1-yl)-, 1,1-dimethylethyl ester, hydrochloride (1:1),
(E)-tert-butyl 4-aminobut-2-enylcarbamate hydrochloride,
N/A,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 222.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.713g/mol |
| Monoisotopic Mass | 222.114g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number