| CAS Number | 6939-13-5 |
| Catalog Number | AG019WAL(AGN-PC-04FADY) |
| Chemical Name | 2-(Propylamino)acetic acid hydrochloride |
| IUPAC Name | 2-(propylamino)acetic acid;hydrochloride |
| InChI | InChI=1S/C5H11NO2.ClH/c1-2-3-6-4-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H |
| InChI Key | MCLMPPQSHGLURZ-UHFFFAOYSA-N |
| MDL Number | MFCD12912942 |
| Molecular Formula | C5H12ClNO2 |
| Molecular Weight | 153.6073 |
| NSC Number | 56781 |
| SMILES | O=C(O)CNCCC.[H]Cl |
| Synonyms | 2-(propylamino)acetic acid hydrochloride,
6939-13-5,
AC1Q39QU,
SCHEMBL5595969,
CTK6E5422,
DTXSID40637293,
MCLMPPQSHGLURZ-UHFFFAOYSA-N,
NSC56781,
NSC-56781,
AKOS008090964,
MCULE-4384128915,
NE26490,
N-Propylglycine--hydrogen chloride (1/1),
EN300-51247,
2-(propylamino)acetic acid,hydrochloride,
|
| Complexity | 72.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.606g/mol |
| Monoisotopic Mass | 153.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number