| CAS Number | 864871-50-1 |
| Catalog Number | AG00J1DN(AGN-PC-01UB9X) |
| Chemical Name | Pentanoic acid, 3-amino-4-methyl-, ethyl ester, hydrochloride (1:1) |
| IUPAC Name | ethyl 3-amino-4-methylpentanoate;hydrochloride |
| InChI | InChI=1S/C8H17NO2.ClH/c1-4-11-8(10)5-7(9)6(2)3;/h6-7H,4-5,9H2,1-3H3;1H |
| InChI Key | JHAWFIWKNHMVGB-UHFFFAOYSA-N |
| MDL Number | MFCD13193895 |
| Molecular Formula | C8H18ClNO2 |
| Molecular Weight | 195.6870 |
| SMILES | Cl.NC(CC(=O)OCC)C(C)C |
| Synonyms | Ethyl 3-amino-4-methylpentanoate hydrochloride,
864871-50-1,
SCHEMBL333918,
JHAWFIWKNHMVGB-UHFFFAOYSA-N,
ZX-CM003967,
MFCD13193895,
MCULE-9778060256,
4012462-25G,
4012462-50G,
Ethyl 3-amino-4-methylpentanoate hydrochloride, AldrichCPR,
racemic 3-amino-4-methyl-pentanoic acid ethyl ester hydrochloride,
80914-30-3,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.687g/mol |
| Monoisotopic Mass | 195.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number