| CAS Number | 1416323-17-5 |
| Catalog Number | AG001GPE(AGN-PC-0WBSM4) |
| Chemical Name | 3-Oxetanemethanol, 3-(methylamino)- |
| IUPAC Name | [3-(methylamino)oxetan-3-yl]methanol |
| InChI | InChI=1S/C5H11NO2/c1-6-5(2-7)3-8-4-5/h6-7H,2-4H2,1H3 |
| InChI Key | SLRFRPGGJXJWPX-UHFFFAOYSA-N |
| MDL Number | MFCD22628745 |
| Molecular Formula | C5H11NO2 |
| Molecular Weight | 117.1463 |
| SMILES | OCC1(NC)COC1 |
| Synonyms | 1416323-17-5,
(3-(Methylamino)oxetan-3-yl)methanol,
3-Methylamino-3-hydroxymethyloxetane,
[3-(methylamino)oxetan-3-yl]methanol,
SCHEMBL17780178,
KS-000004JY,
MFCD22628745,
ZINC95630847,
3-Oxetanemethanol, 3-(methylamino)-,
AKOS025290981,
SB11937,
AS-34035,
ST1251338,
CS-0052994,
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| Complexity | 80.5 |
| 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 | 2 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
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Certificate of Analysis
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