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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

Cyclohexane

[895930-35-5]
4-Amino-N-cyclohexyl-1-ethyl-1H-pyrazole-3-carboxamide
[82575-70-0]
trans-4-(trans-4-Pentylcyclohexyl)cyclohexanol
[82832-72-2]
trans-4-(trans-4-propylcyclohexyl)cyclohexanol
[65355-33-1]
trans-4-Pentyl-(1,1-bicyclohexyl)-4-carboxylic acid
[71458-12-3]
Trans-4-propylcylohexylmethanol
[27634-89-5]
4-Cyclohexylbenzaldehyde

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
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[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