tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate

HCID 34178604
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Basic information

CAS
336191-17-4
Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CCNCC2)C1
InChIKey
NFNCPNAVNRBDOU-UHFFFAOYSA-N
Molecular formula
C13H24N2O2
Average molar mass
240.34 g/mol
Monoisotopic mass
240.18377801

Names & identifiers

Preferred name
tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
IUPAC
tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
English name
tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
Molecular formula
C13H24N2O2
Molecular weight
240.34

Names & synonyms

336191-17-4tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylateDTXSID00653030tert-Butyl 2,8-diazaspiro(4.5)decane-2-carboxylateRefChem:383142DTXCID30603780817-976-62,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester2-Boc-2,8-diazaspiro[4.5]decane2-Boc-2,8-diaza-spiro[4.5]decaneMFCD067390562,8-Diazaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
Show more names
2-Boc-2,8-diaza-spiro[4.5...2-N-Boc-2,8-diaza-spiro[4.5]decane2,8-Diazaspiro[4.5]decane, N2-BOC protected2-Boc-2,8-diazaspiro[4.5]decane hemioxalatetert-Butyl 2,8-diazaspiro4.5decan-2-carboxylateert-Butyl2,8-diazaspiro[4.5]decane-2-carboxylatetert-Butyl 3,8-diazaspiro[4.5]decane-3-carboxylatetert-Butyl2,7-diazaspiro[4,5]decane-2-carboxylate,98%
2,8-DIAZASPIRO[4.5]DECANE-2-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER2,8-DIAZA-SPIRO[4.5]DECANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER;TERT-BUTYL 2,8-DIAZASPIRO[4.5]DECANE-2-CARBOXYLATE;2-Boc-2,8-Diaza-spiro[4.5]decane;tert-Butyl2,7-diazaspiro[4,5]decane-2-carboxylate,98%SCHEMBL484311orb3031657NFNCPNAVNRBDOU-UHFFFAOYSA-NFL0238SBB099302AKOS005069264

Database identifiers

CAS
336191-17-4
PubChem CID
34178604
DTXSID
DTXSID00653030
EC Number
817-976-6

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

Boiling point
337 · 337.0±35.0 °C(Predicted)
Density
1.07 · 1.07±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
pka
10.97 · 10.97±0.20(Predicted)
form
solid
color
Off-white to grey

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
29339900
risk_code
20-22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36
hazard_class
IRRITANT

Chemistry & industry

Applications

Usestert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate is a heterocyclic derivative and can be used as a pharmaceutical synthesis intermediate.

Upstream & downstream products

Suppliers100 total

上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

65 records
New reaction record

Compound notes

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