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Product No: AA6836

tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate, 95%

Name: tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
Brand: Chempure

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CAS Number

336191-17-4

Molecular Weight

240.34

Formula

C13H24N2O2

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IUPAC name	tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
canonical smiles	CC(C)(C)OC(=O)N1CCC2(C1)CCNCC2
inchi	InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13/h14H,4-10H2,1-3H3
inchi key	NFNCPNAVNRBDOU-UHFFFAOYSA-N
molecular formula	C13H24N2O2
synonyms	336191-17-4 tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate 2,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester 2-Boc-2,8-diazaspiro[4.5]decane 2-Boc-2,8-diaza-spiro[4.5]decane

Computed Properties

Molecular Weight:	240.34 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	240.183778013 g/mol
Monoisotopic Mass:	240.183778013 g/mol
Topological Polar Surface Area:	41.6 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	290
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

7-sulfonyl-THIQ 11

Tert-butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate

Tert-butyl 3-(aminomethyl)piperidine-1-carboxylate

3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl isobutyrate

2,2-Dimethyl-1-(naphthalen-2-yl)propan-1-one

Ethanone, 2,2,2-trifluoro-1-(1,2,3,4-tetrahydro-7-isoquinolinyl)-

tert-Butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate

N-(cis-2-fluorocyclopropylcarbonyl)-3,7-diazabicyclo[3.3.0]octane

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1R,2R)-2-fluorocyclopropyl]methanone

tert-Butyl 3-amino-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1R,2S)-2-methylcyclopropyl]methanone

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone

Tert-butyl 6,7-dihydrothieno[3,2-C]pyridine-5(4H)-carboxylate

tert-Butyl 5-Amino-1H-indazole-1-carboxylate

cis-2-Boc-hexahydropyrrolo[3,4-c]pyrrole

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	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
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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]

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About this item

Documentation

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Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
canonical smiles	CC(C)(C)OC(=O)N1CCC2(C1)CCNCC2
inchi	InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13/h14H,4-10H2,1-3H3
inchi key	NFNCPNAVNRBDOU-UHFFFAOYSA-N
molecular formula	C13H24N2O2
synonyms	336191-17-4 tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate 2,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester 2-Boc-2,8-diazaspiro[4.5]decane 2-Boc-2,8-diaza-spiro[4.5]decane

Computed Properties

Molecular Weight:	240.34 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	240.183778013 g/mol
Monoisotopic Mass:	240.183778013 g/mol
Topological Polar Surface Area:	41.6 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	290
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

7-sulfonyl-THIQ 11

Tert-butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate

Tert-butyl 3-(aminomethyl)piperidine-1-carboxylate

3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl isobutyrate

2,2-Dimethyl-1-(naphthalen-2-yl)propan-1-one

Ethanone, 2,2,2-trifluoro-1-(1,2,3,4-tetrahydro-7-isoquinolinyl)-

tert-Butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate

N-(cis-2-fluorocyclopropylcarbonyl)-3,7-diazabicyclo[3.3.0]octane

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1R,2R)-2-fluorocyclopropyl]methanone

tert-Butyl 3-amino-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1R,2S)-2-methylcyclopropyl]methanone

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone

Tert-butyl 6,7-dihydrothieno[3,2-C]pyridine-5(4H)-carboxylate

tert-Butyl 5-Amino-1H-indazole-1-carboxylate

cis-2-Boc-hexahydropyrrolo[3,4-c]pyrrole

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	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
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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]

Product No: AA6836

tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate, 95%

Product No: AA6836

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6836

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?