| CAS Number | 178389-41-8 |
| Catalog Number | AG0025ZB(AGN-PC-09SIRB) |
| Chemical Name | Methyl 2-aminopent-4-ynoate hydrochloride |
| IUPAC Name | methyl 2-aminopent-4-ynoate;hydrochloride |
| InChI | InChI=1S/C6H9NO2.ClH/c1-3-4-5(7)6(8)9-2;/h1,5H,4,7H2,2H3;1H |
| InChI Key | YTSKPYFAKGFHRE-UHFFFAOYSA-N |
| MDL Number | MFCD11975673 |
| Molecular Formula | C6H10ClNO2 |
| Molecular Weight | 163.6021 |
| SMILES | Cl.COC(C(CC#C)N)=O |
| Synonyms | 178389-41-8,
METHYL 2-AMINOPENT-4-YNOATE HYDROCHLORIDE,
SCHEMBL1523990,
YTSKPYFAKGFHRE-UHFFFAOYSA-N,
SC-32576,
methyl (2S)-2-aminopent-4-ynoate;hydrochloride,
2-Amino-pent-4-ynoic acid methyl ester hydrochloride,
4-Pentynoic acid, 2-amino-, methyl ester, hydrochloride (1:1),
(S)-Methyl 2-aminopent-4-ynoate hydrochloride,
166271-28-9,
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| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.601g/mol |
| Monoisotopic Mass | 163.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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