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Tert-butyl 1,7-diazaspiro[4.4]nonane-1-carboxylate

Tert-butyl 1,7-diazaspiro[4.4]nonane-1-carboxylate - CAS 885268-47-3

Catalog:	BB054075
Product Name:	Tert-butyl 1,7-diazaspiro[4.4]nonane-1-carboxylate
CAS:	885268-47-3
Synonyms:	1-Boc-1,7-diaza-spiro[4.4]nonane; 1,7-Diazaspiro[4.4]nonane-1-carboxylic acid tert-butyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	tert-butyl 1,7-diazaspiro[4.4]nonane-1-carboxylate
Molecular Weight:	226.32
Molecular Formula:	C12H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC12CCNC2
InChI:	InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-4-5-12(14)6-7-13-9-12/h13H,4-9H2,1-3H3
InChI Key:	LZBANXJWOBNBLH-UHFFFAOYSA-N
Boiling Point:	319.4±15.0 °C at 760 mmHg
Density:	1.08 g/cm3

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Oxygen Compounds

[77987-49-6]
Z-Glycinol
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

GHS Hazard Statement:	H302 (50%): 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]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.168127949
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.168127949
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2