| CAS Number | 1416323-28-8 |
| Catalog Number | AG001GPB(AGN-PC-0WCJRR) |
| Chemical Name | [3-(oxetan-3-yloxy)phenyl]methanamine |
| IUPAC Name | [3-(oxetan-3-yloxy)phenyl]methanamine |
| InChI | InChI=1S/C10H13NO2/c11-5-8-2-1-3-9(4-8)13-10-6-12-7-10/h1-4,10H,5-7,11H2 |
| InChI Key | FXAIYTYQOIQTTL-UHFFFAOYSA-N |
| MDL Number | MFCD21847942 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | NCC1=CC(OC2COC2)=CC=C1 |
| Synonyms | [3-(Oxetan-3-yloxy)phenyl]methanamine,
1416323-28-8,
(3-(Oxetan-3-yloxy)phenyl)methanamine,
KS-000007TY,
ZINC76603061,
AS-52917,
CS-0052993,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.094629g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.22g/mol |
| Monoisotopic Mass | 179.094629g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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