Basic information
- CAS
1357354-13-2- Standard SMILES
CC(C)(C)OC(=O)N1CC2(CCOCC2N)C1- InChIKey
GNQAATURSWLECH-UHFFFAOYSA-N- Molecular formula
- C12H22N2O3
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.16304257
Names & identifiers
- Preferred name
- 5-Amino-7-oxa-2-aza-spiro[3.5]nonane-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
- English name
- 5-Amino-7-Oxa-2-Aza-Spiro[3.5]Nonane-2-Carboxylic Acid Tert-Butyl Ester
- Molecular formula
- C12H22N2O3
- Molecular weight
- 242.31
Names & synonyms
1357354-13-25-Amino-7-oxa-2-aza-spiro[3.5]nonane-2-carboxylic acid tert-butyl estertert-Butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylateMFCD22209475SB51989BS-41844CS-0037864W13981tert-Butyl5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate7-Oxa-2-azaspiro[3.5]nonane-2-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester5-Amino-7-Oxa-2-Aza-Spiro[3.5]Nonane-2-Carboxylic Acid Tert-Butyl Ester(WX100917)
Database identifiers
- CAS
1357354-13-2- PubChem CID
- 71305964
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 348 · 348.0±42.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 8.94 · 8.94±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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