| CAS Number | 1781121-31-0 |
| Catalog Number | AG0025RH(AGN-PC-0WNGXZ) |
| Chemical Name | [3-(difluoromethyl)oxetan-3-yl]methanamine |
| IUPAC Name | [3-(difluoromethyl)oxetan-3-yl]methanamine |
| InChI | InChI=1S/C5H9F2NO/c6-4(7)5(1-8)2-9-3-5/h4H,1-3,8H2 |
| InChI Key | NYNCJBLFQIECEU-UHFFFAOYSA-N |
| MDL Number | MFCD30737516 |
| Molecular Formula | C5H9F2NO |
| Molecular Weight | 137.1279 |
| SMILES | NCC1(C(F)F)COC1 |
| Synonyms | [3-(difluoromethyl)oxetan-3-yl]methanamine,
1781121-31-0,
SCHEMBL20659115,
KS-000006EF,
MFCD30737516,
ZINC258536008,
SB22583,
3-(Difluoromethyl)-3-oxetanemethanamine,
AS-53877,
CS-0052998,
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| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.13g/mol |
| Monoisotopic Mass | 137.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number