| CAS Number | 945419-79-4 |
| Catalog Number | AG00J1D7 |
| Chemical Name | ethyl 3-aminohexanoate hydrochloride |
| IUPAC Name | ethyl 3-aminohexanoate;hydrochloride |
| InChI | InChI=1S/C8H17NO2.ClH/c1-3-5-7(9)6-8(10)11-4-2;/h7H,3-6,9H2,1-2H3;1H |
| InChI Key | RJNLWXVORNLJGW-UHFFFAOYSA-N |
| MDL Number | MFCD13193896 |
| Molecular Formula | C8H18ClNO2 |
| Molecular Weight | 195.6870 |
| SMILES | C(OCC)(=O)CC(CCC)N.Cl |
| Synonyms | Ethyl 3-aminohexanoate hydrochloride,
945419-79-4,
SCHEMBL335033,
RJNLWXVORNLJGW-UHFFFAOYSA-N,
Ethyl3-aminohexanoate hydrochloride,
ZX-CM003968,
MFCD13193896,
AKOS025405202,
3-Amino-hexanoic acid ethyl ester hydrochloride,
Ethyl 3-aminohexanoate hydrochloride, AldrichCPR,
racemic 3-amino-hexanoic acid ethyl ester hydrochloride,
59663-70-6,
|
| Complexity | 115 |
| 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 | 6 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number