Basic information
- CAS
240401-28-9- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)C2- InChIKey
QTKGBUXGQNHIIM-UHFFFAOYSA-N- Molecular formula
- C13H23NO3
- Average molar mass
- 241.33 g/mol
- Monoisotopic mass
- 241.1677936
Names & identifiers
- Preferred name
- Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate
- IUPAC
- tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate
- English name
- 7-Azaspiro[3.5]nonane-7-carboxylic acid, 2-hydroxy-, 1,1-dimethylethyl ester
- Molecular formula
- C13H23NO3
- Molecular weight
- 241.33
Names & synonyms
Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylateDTXSID10431487tert-butyl 2-hydroxy-7-azaspiro(3.5)nonane-7-carboxylateRefChem:892625DTXCID00382318981-653-7240401-28-97-Boc-2-hydroxy-7-azaspiro[3.5]nonaneMFCD145844662-Hydroxy-7-aza-spiro[3.5]nonane-7-carboxylic acid tert-butyl esterorb3177189SCHEMBL1474868
Show more names
7-Boc-2-hydroxy-7-azaspir...7-Tert-butoxycarbonyl-7-azaspiro[3.5]nonan-2-ol2-Hydroxy-7-aza-spiro3.5none-7-carboxylic acid tert-butyl estertert-Butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate - B71947-Azaspiro[3.5]nonane-7-carboxylic acid, 2-hydroxy-, 1,1-dimethylethyl este7-Azaspiro[3.5]nonane-7-carboxylic acid, 2-hydroxy-, 1,1-dimethylethyl ester
QTKGBUXGQNHIIM-UHFFFAOYSA-NQJA401287-Boc-7-azaspiro[3.5]nonan-2-ol7-Boc-7-azaspiro[3.5]nonane-2-olAKOS016008184PB11119AC-30358AS-42007
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 350.7 · 350.7±42.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.99 · 14.99±0.20(Predicted)
- form
- solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H412
- Precautionary statements
- 261 · P261-P273-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H412
- Precautionary statements
- P261-P273-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers82 total
青岛鼎新海诺商贸有限公司18661607483
陕西科贝莱药物研发有限公司13119135307 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
12 records
Compound notes
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