| CAS Number | 1256633-21-2 |
| Catalog Number | AG000OA8(AGN-PC-0WAEI0) |
| Chemical Name | N-Cbz-2-(hydroxymethyl)homomorpholine |
| IUPAC Name | benzyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate |
| InChI | InChI=1S/C14H19NO4/c16-10-13-9-15(7-4-8-18-13)14(17)19-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2 |
| InChI Key | GBFMGKGLICBMMI-UHFFFAOYSA-N |
| MDL Number | MFCD18071031 |
| Molecular Formula | C14H19NO4 |
| Molecular Weight | 265.3050 |
| SMILES | OCC1CN(CCCO1)C(=O)OCC1=CC=CC=C1 |
| Synonyms | N-Cbz-2-(hydroxymethyl)homomorpholine,
1256633-21-2,
Benzyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate,
KS-000008YI,
7247AJ,
MFCD18071031,
FCH2794251,
AS-32368,
SY011929,
AX8268715,
FT-0729625,
K-1887,
MFCD18071031 (95+%),
1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-2-(hydroxymethyl)-, phenylmethyl ester,
C14H19NO4,
GBFMGKGLICBMMI-UHFFFAOYSA-N,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.309g/mol |
| Monoisotopic Mass | 265.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number