| CAS Number | 1363381-69-4 |
| Catalog Number | AG0011PJ(AGN-PC-0WBRHF) |
| Chemical Name | 6-Azaspiro[3.5]nonane-6-carboxylic acid, 2-amino-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 2-amino-6-azaspiro[3.5]nonane-6-carboxylate |
| InChI | InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-6-4-5-13(9-15)7-10(14)8-13/h10H,4-9,14H2,1-3H3 |
| InChI Key | VQHYDOIBWWTTKP-UHFFFAOYSA-N |
| MDL Number | MFCD22419345 |
| Molecular Formula | C13H24N2O2 |
| Molecular Weight | 240.3419 |
| SMILES | O=C(N(CCC1)CC21CC(N)C2)OC(C)(C)C |
| Synonyms | 1363381-69-4,
Tert-butyl 2-amino-6-azaspiro[3.5]nonane-6-carboxylate,
6-BOC-2-AMINO-6-AZASPIRO[3.5]NONANE,
SCHEMBL16042559,
KS-000006IR,
MFCD22419345,
ZINC95743139,
AKOS025291144,
FCH1642494,
PB36786,
AK171491,
AS-51658,
CS-0048431,
Q-4625,
tert-Butyl 2-amino-8-azaspiro[3.5]nonane-8-carboxylate,
6-Azaspiro[3.5]nonane-6-carboxylic acid, 2-amino-, 1,1-dimethylethyl ester,
R199,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.347g/mol |
| Monoisotopic Mass | 240.184g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H315-H318-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
UN 2735
|
Certificate of Analysis
Lot Number