| CAS Number | 1262411-27-7 |
| Catalog Number | AG000SF0(AGN-PC-0WNGZD) |
| Chemical Name | 1-Azetidinecarboxylic acid, 3-amino-3-(hydroxymethyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-amino-3-(hydroxymethyl)azetidine-1-carboxylate |
| InChI | InChI=1S/C9H18N2O3/c1-8(2,3)14-7(13)11-4-9(10,5-11)6-12/h12H,4-6,10H2,1-3H3 |
| InChI Key | JWVHLOXEHDYSLW-UHFFFAOYSA-N |
| MDL Number | MFCD18375152 |
| Molecular Formula | C9H18N2O3 |
| Molecular Weight | 202.2508 |
| SMILES | CC(C)(C)OC(=O)N1CC(N)(CO)C1 |
| Synonyms | 1262411-27-7,
1-BOC-3-AMINO-3-(HYDROXYMETHYL)AZETIDINE,
TERT-BUTYL 3-AMINO-3-(HYDROXYMETHYL)AZETIDINE-1-CARBOXYLATE,
SCHEMBL12439836,
JWVHLOXEHDYSLW-UHFFFAOYSA-N,
KS-000006ZV,
MFCD18375152,
ZINC95707440,
AKOS027323548,
PB16778,
AK315768,
AS-51293,
CS-0048327,
Q-4221,
1-Azetidinecarboxylic acid, 3-amino-3-(hydroxymethyl)-, 1,1-dimethylethyl ester,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.254g/mol |
| Monoisotopic Mass | 202.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number