| CAS Number | 303037-29-8 |
| Catalog Number | AG00I5OO(AGN-PC-0WB2WD) |
| Chemical Name | (4-aminotetrahydro-2H-pyran-4-yl)acetic acid |
| IUPAC Name | 2-(4-aminooxan-4-yl)acetic acid |
| InChI | InChI=1S/C7H13NO3/c8-7(5-6(9)10)1-3-11-4-2-7/h1-5,8H2,(H,9,10) |
| InChI Key | QRIAWCUEIMQLGG-UHFFFAOYSA-N |
| MDL Number | MFCD18375090 |
| Molecular Formula | C7H13NO3 |
| Molecular Weight | 159.1830 |
| SMILES | C1COCCC1(CC(=O)O)N |
| Synonyms | 303037-29-8,
(4-aminotetrahydro-2H-pyran-4-yl)acetic acid,
2-(4-aminooxan-4-yl)acetic acid,
2-(4-aminotetrahydro-2H-pyran-4-yl)acetic acid,
SCHEMBL6594726,
ALBB-028262,
KS-00002BQ7,
BBL032931,
MFCD18375090,
STL373064,
ZINC72109537,
AKOS013991755,
MCULE-2706982629,
TS-7205,
2H-pyran-4-acetic acid, 4-aminotetrahydro-,
Y-7858,
(4-Aminotetrahydro-2H-pyran-4-yl)acetic acid, AldrichCPR,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.185g/mol |
| Monoisotopic Mass | 159.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number