Basic information
- CAS
1158749-79-1- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CCN2)C1- InChIKey
HXUGSDLGHNRSJZ-UHFFFAOYSA-N- Molecular formula
- C11H20N2O2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.15247789
Names & identifiers
- Preferred name
- tert-Butyl 1,6-diazaspiro[3.4]octane-6-carboxylate
- IUPAC
- tert-butyl 1,7-diazaspiro[3.4]octane-7-carboxylate
- English name
- 1,6-Diazaspiro[3.4]octane-6-carboxylic acid, 1,1-dimethylethyl ester
- Molecular formula
- C11H20N2O2
- Molecular weight
- 212.29
Names & synonyms
tert-Butyl 1,6-diazaspiro[3.4]octane-6-carboxylateDTXSID20704073tert-butyl 1,6-diazaspiro(3.4)octane-6-carboxylateRefChem:891995DTXCID60654821961-655-41158749-79-16-BOC-1,6-DIAZASPIRO[3.4]OCTANEMFCD12406509tert-butyl 1,7-diazaspiro[3.4]octane-7-carboxylate1,6-Diazaspiro[3.4]octane-6-carboxylic acid tert-butyl esterSCHEMBL16633027
Show more names
6-Boc-1,6-diazaspiro[3.4]...7-Boc-1,7-diaza-spiro[3.5]nonane oxalate6-Boc-1,6-diazaspiro[3.4]octane heMioxalate1,6-Diazaspiro[3.4]octan-6-carboxylic acid tert-butyl ester1,6-Diazaspiro[3.4]octane-6-carboxylic acid tert-butyl ester - D5979
N6-Boc,-1,6-Diazaspiro[3.4]octaneIWB749791,6-DIAZASPIRO[3.4]OCTANE-6-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTERAKOS015950369PB15072AS-30021SY096856DB-369004
Database identifiers
- CAS
1158749-79-1
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 301.3 · 301.3±15.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 10.72 · 10.72±0.20(Predicted)
- Appearance
- light yellow liquid
- InChI
- InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-5-11(8-13)4-6-12-11/h12H,4-8H2,1-3H3
- InChIKey
- HXUGSDLGHNRSJZ-UHFFFAOYSA-N
- SMILES
- N1C2(CCN(C(OC(C)(C)C)=O)C2)CC1
- 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
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers50 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京道尔顿化学技术有限公司18913360273; 15051832550 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Protheragen-ING+86-15618352007 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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