| CAS Number | 104883-53-6 |
| Catalog Number | AG009SWW(AGN-PC-00JQDT) |
| Chemical Name | 2-(Aminomethyl)Pentanoic Acid |
| IUPAC Name | 2-(aminomethyl)pentanoic acid |
| InChI | InChI=1S/C6H13NO2/c1-2-3-5(4-7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) |
| InChI Key | SPVZHUGRMDRKAC-UHFFFAOYSA-N |
| MDL Number | MFCD06227453 |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| SMILES | NCC(C(=O)O)CCC |
| Synonyms | 2-(aminomethyl)pentanoic acid,
104883-53-6,
AC1Q2ULG,
a-Aminomethylpropylessigsaure,
SCHEMBL6030556,
(R)-2-aminomethy-pentanoic acid,
(S)-2-aminomethy-pentanoic acid,
Pentanoic acid, 2-(aminomethyl)-,
AKOS011547618,
MCULE-1313729322,
NE60071,
EN300-72924,
Z1272744179,
312613-71-1,
537041-95-5,
|
| Complexity | 93.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.175g/mol |
| Monoisotopic Mass | 131.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number