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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

Name: 3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

[84868-02-0]C17H30O
4-Pentyldicyclohexylanone
[16350-96-2]C13H20ClN
N-Benzylcyclohexylamine hydrochloride
[1033540-26-9]C18H32O
4-[2-(trans-4-Butylcyclohexyl)ethyl]cyclohexanone
[895930-35-5]C12H20N4O
4-Amino-N-cyclohexyl-1-ethyl-1H-pyrazole-3-carboxamide
[2306248-28-0]C14H24FNO4
Ethyl (1S,3R,4S)-4-(tert-butoxycarbonylamino)-3-fluoro-cyclohexanecarboxylate
[1431964-29-2]C16H31NO5
2-[(4-Tert-butylcyclohexyl)amino]butan-1-ol oxalic acid

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[13021-14-2]C10H15N
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