| CAS Number | 2007910-70-3 |
| Catalog Number | AG00IL8O(AGN-PC-0WOHAD) |
| Chemical Name | [3,3'-Biazetidine]-1-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1) |
| IUPAC Name | tert-butyl 3-(azetidin-3-yl)azetidine-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C11H20N2O2.ClH/c1-11(2,3)15-10(14)13-6-9(7-13)8-4-12-5-8;/h8-9,12H,4-7H2,1-3H3;1H |
| InChI Key | HODOSLOMSNCLOP-UHFFFAOYSA-N |
| MDL Number | MFCD30471683 |
| Molecular Formula | C11H21ClN2O2 |
| Molecular Weight | 248.7496 |
| SMILES | C(=O)(OC(C)(C)C)N1CC(C1)C1CNC1.Cl |
| Synonyms | tert-butyl [3,3'-biazetidine]-1-carboxylate hydrochloride,
2007910-70-3,
MFCD30471683,
AKOS030628692,
SB22350,
AS-53316,
CS-0048500,
tert-butyl [3,3'-biazetidine]-1-carboxylate hcl,
[3,3'-Biazetidine]-1-carboxylic acid tert-butyl ester hydrochloride,
tert-butyl 3-(azetidin-3-yl)azetidine-1-carboxylate;hydrochloride,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.751g/mol |
| Monoisotopic Mass | 248.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number