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3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione - CAS 73799-63-0

Catalog:	BB043552
Product Name:	3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS:	73799-63-0
Synonyms:	3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(phenylmethyl)-; 3-Aza-3-benzylbicyclo[3.1.0]hexane-2,4-dione

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Description:	3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CAS# 73799-63-0 ) is a useful research chemical.
Molecular Weight:	201.22
Molecular Formula:	C12H11NO2
Canonical SMILES:	C1C2C1C(=O)N(C2=O)CC3=CC=CC=C3
InChI:	InChI=1S/C12H11NO2/c14-11-9-6-10(9)12(15)13(11)7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChI Key:	JEISWFNRNZRSHM-UHFFFAOYSA-N
Boiling Point:	416.3±24.0 °C at 760 mmHg
Melting Point:	92-95 °C
Density:	1.3±0.1 g/cm³

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Related Functional Groups

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[1820583-20-7]
methyl (1R,3S)-3-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylate

Nitrogen 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
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.078978594
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.4
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8