| CAS Number | 879515-14-7 |
| Catalog Number | AG01A2NI(AGN-PC-0BUSV7) |
| Chemical Name | 3-(Aminomethyl)oxolan-3-ol |
| IUPAC Name | 3-(aminomethyl)oxolan-3-ol |
| InChI | InChI=1S/C5H11NO2/c6-3-5(7)1-2-8-4-5/h7H,1-4,6H2 |
| InChI Key | JYTKAOGAECWBMI-UHFFFAOYSA-N |
| MDL Number | MFCD18333807 |
| Molecular Formula | C5H11NO2 |
| Molecular Weight | 117.1463 |
| SMILES | C1COCC1(CN)O |
| Synonyms | 3-(aminomethyl)oxolan-3-ol,
879515-14-7,
SCHEMBL1141297,
AKOS012637536,
MCULE-1810319650,
NE51327,
SB11822,
F2148-2188,
Z1124555938,
3-(aminomethyl)tetrahydrofuran-3-ol 4-methylbenzenesulfonate,
|
| Complexity | 86.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 117.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 117.148g/mol |
| Monoisotopic Mass | 117.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number