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 |
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 |
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 |
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