| CAS Number | 1408075-03-5 |
| Catalog Number | AG001CSV(AGN-PC-0WCK9Q) |
| Chemical Name | 6-boc-2,6-diazabicyclo[3.2.0]heptane |
| IUPAC Name | tert-butyl 2,6-diazabicyclo[3.2.0]heptane-6-carboxylate |
| InChI | InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-8(12)4-5-11-7/h7-8,11H,4-6H2,1-3H3 |
| InChI Key | BDVMAANWMDTLFP-UHFFFAOYSA-N |
| MDL Number | MFCD22628713 |
| Molecular Formula | C10H18N2O2 |
| Molecular Weight | 198.2621 |
| SMILES | C(=O)(OC(C)(C)C)N1C2CCNC2C1 |
| Synonyms | 6-BOC-2,6-DIAZABICYCLO[3.2.0]HEPTANE,
1408075-03-5,
KS-000007FN,
MFCD22628713,
PB38098,
SB20597,
AS-51731,
CS-0050326,
Q-4725,
TERT-BUTYL 2,6-DIAZABICYCLO[3.2.0]HEPTANE-6-CARBOXYLATE,
2,6-Diazabicyclo[3.2.0]heptane-6-carboxylic acid, 1,1-dimethylethyl ester,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.266g/mol |
| Monoisotopic Mass | 198.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number