Basic information
- CAS
1023301-84-9- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNC2.Cl- InChIKey
HVLQURGQQISYSQ-UHFFFAOYSA-N- Molecular formula
- C12H23ClN2O2
- Average molar mass
- 262.77 g/mol
- Monoisotopic mass
- 262.14480566
Names & identifiers
- Preferred name
- Tert-butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride
- IUPAC
- tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride
- English name
- tert-Butyl2,7-diazaspiro[3.5]nonane-7-carboxylatehydrochloride
- Molecular formula
- C12H22ClN2O2-
- Molecular weight
- 261.76828
Names & synonyms
tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate hydrochlorideTert-butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochlorideRefChem:892210806-356-01023301-84-97-Boc-2,7-diaza-spiro[3.5]nonane hydrochlorideMFCD131850862,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1)tert-Butyl2,7-diazaspiro[3.5]nonane-7-carboxylatehydrochloridetert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride7-Boc-2,7-diazaspiro[3.5]nonane HClTERT-BUTYL 2,7-DIAZASPIRO[3.5]NONANE-7-CARBOXYLATE HCL
Show more names
7-Boc-2,7-diaza-spiro3.5none hydrochlorideTert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate hydroctert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate HCl salttert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate hydrochlo...tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate， hydrochloride(1:1)102,7-diazaspiro[3.5]nonane-7-carboxylic acid tert-butyl hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C12H22N2O2.ClH/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;/h13H,4-9H2,1-3H3;1H
- InChIKey
- HVLQURGQQISYSQ-UHFFFAOYSA-N
- SMILES
- Cl.C(N1CCC2(CNC2)CC1)(=O)OC(C)(C)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Descriptiontert-Butyl2,7-diazaspiro[3.5]nonane-7-carboxylatehydrochloride is a drug intermediate for synthesis of various active compounds.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海富弘立化工科技有限公司18616083375
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京先景医药科技有限公司025-52760886 13073455575 · [email protected]
泰州葛林美克医药科技有限公司15366892466
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
斯芬克司药物研发（天津）股份有限公司
Related reactions
7 records
Compound notes
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