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9-Azabicyclo[3.3.1]nonan-3-one Hydrochloride

9-Azabicyclo[3.3.1]nonan-3-one Hydrochloride - CAS 72761-60-5

Name: 9-Azabicyclo[3.3.1]nonan-3-one Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034685
Product Name:	9-Azabicyclo[3.3.1]nonan-3-one Hydrochloride
CAS:	72761-60-5
Synonyms:	9-Aza-bicyclo[3.3.1]nonan-3-one hydrochloric acid salt

Technical Data

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Computed Properties

IUPAC Name:	9-azabicyclo[3.3.1]nonan-3-one;hydrochloride
Description:	9-Azabicyclo[3.3.1]nonan-3-one Hydrochloride (CAS# 72761-60-5) is a useful research chemical.
Molecular Weight:	175.65
Molecular Formula:	C8H14ClNO
Canonical SMILES:	C1CC2CC(=O)CC(C1)N2.Cl
InChI:	InChI=1S/C8H13NO.ClH/c10-8-4-6-2-1-3-7(5-8)9-6;/h6-7,9H,1-5H2;1H
InChI Key:	XGESYOBZBRDUBC-UHFFFAOYSA-N
Boiling Point:	277.2°C at 760 mmHg
Appearance:	White Solid
LogP:	1.99080

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2011152306-A1	Aza-bridged ring-fused indoles and indolines	20091217
US-8778959-B2	AZA-bridged ring-fused indoles and indolines	20091217
WO-2011084433-A2	Aza-bridged ring-fused indoles and indolines	20091217
WO-2011008312-A2	Indole and indoline derivatives and methods of use thereof	20090714
CA-2737031-A1	Indole and indoline derivatives and methods of use thereof	20080929

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0763918
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	175.0763918
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0