| CAS Number | 1375303-15-3 |
| Catalog Number | AG0013ID(AGN-PC-0WA4W3) |
| Chemical Name | 2-(1-Benzhydrylazetidin-3-yl)propane-1,3-diol |
| IUPAC Name | 2-(1-benzhydrylazetidin-3-yl)propane-1,3-diol |
| InChI | InChI=1S/C19H23NO2/c21-13-18(14-22)17-11-20(12-17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14H2 |
| InChI Key | LGOWMIBQEVVRKX-UHFFFAOYSA-N |
| MDL Number | MFCD22381710 |
| Molecular Formula | C19H23NO2 |
| Molecular Weight | 297.3914 |
| SMILES | OCC(C1CN(C(C2=CC=CC=C2)C3=CC=CC=C3)C1)CO |
| Synonyms | 2-(1-benzhydrylazetidin-3-yl)propane-1,3-diol,
1375303-15-3,
AK141426,
KS-00000RUL,
DTXSID30744521,
MFCD22381710,
ZINC91361987,
AKOS022173240,
DS-7277,
AJ-130915,
AX8281603,
4CH-001622,
CS-0060497,
FT-0697616,
2-[1-(Diphenylmethyl)azetidin-3-yl]propane-1,3-diol,
1,3-Propanediol, 2-[1-(diphenylmethyl)-3-azetidinyl]-,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.398g/mol |
| Monoisotopic Mass | 297.173g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number