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Product No: AV4194

4-Aminocyclohexanone Hydrochloride, >98.0%(T)

Name: 4-Aminocyclohexanone Hydrochloride
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

675112-40-0

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About this item

IUPAC name	4-aminocyclohexan-1-one;hydrochloride
canonical smiles	C1CC(=O)CCC1N.Cl
inchi	InChI=1S/C6H11NO.ClH/c7-5-1-3-6(8)4-2-5;/h5H,1-4,7H2;1H
inchi key	NCURSEGKHJAUOX-UHFFFAOYSA-N
molecular formula	C6H12ClNO
synonyms	4-Aminocyclohexanone hydrochloride 675112-40-0 4-Aminocyclohexanone HCl 4-AMINO-CYCLOHEXANONE HYDROCHLORIDE 4-AMINOCYCLOHEXAN-1-ONE HYDROCHLORIDE

Computed Properties

Molecular Weight:	149.62 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	149.0607417 g/mol
Monoisotopic Mass:	149.0607417 g/mol
Topological Polar Surface Area:	43.1 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	90.7
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

2-Aminocyclohexanone

2-Aminocyclohexanone hydrochloride

4-Aminocyclohexanone

4-Aminocyclohexanone hydrochloride

(2R)-2-aminocyclohexan-1-one

4-(Phosphanylamino)cyclohexan-1-one

(2S)-2-aminocyclohexan-1-one

(4-Oxocyclohexyl)azanium

4-(Chloroamino)cyclohexan-1-one

4-(Iodoamino)cyclohexan-1-one

4-Aminocyclohexan-1-one;dihydrochloride

N-(4-oxocyclohexyl)ammonium chloride

4-(Bromoamino)cyclohexan-1-one

4-Aminocyclohexan-1-one;ethane

(4-Oxocyclohexyl)azanium;iodide

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (50%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	4-aminocyclohexan-1-one;hydrochloride
canonical smiles	C1CC(=O)CCC1N.Cl
inchi	InChI=1S/C6H11NO.ClH/c7-5-1-3-6(8)4-2-5;/h5H,1-4,7H2;1H
inchi key	NCURSEGKHJAUOX-UHFFFAOYSA-N
molecular formula	C6H12ClNO
synonyms	4-Aminocyclohexanone hydrochloride 675112-40-0 4-Aminocyclohexanone HCl 4-AMINO-CYCLOHEXANONE HYDROCHLORIDE 4-AMINOCYCLOHEXAN-1-ONE HYDROCHLORIDE

Computed Properties

Molecular Weight:	149.62 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	149.0607417 g/mol
Monoisotopic Mass:	149.0607417 g/mol
Topological Polar Surface Area:	43.1 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	90.7
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

Related Compounds

2-Aminocyclohexanone

2-Aminocyclohexanone hydrochloride

4-Aminocyclohexanone

4-Aminocyclohexanone hydrochloride

(2R)-2-aminocyclohexan-1-one

4-(Phosphanylamino)cyclohexan-1-one

(2S)-2-aminocyclohexan-1-one

(4-Oxocyclohexyl)azanium

4-(Chloroamino)cyclohexan-1-one

4-(Iodoamino)cyclohexan-1-one

4-Aminocyclohexan-1-one;dihydrochloride

N-(4-oxocyclohexyl)ammonium chloride

4-(Bromoamino)cyclohexan-1-one

4-Aminocyclohexan-1-one;ethane

(4-Oxocyclohexyl)azanium;iodide

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (50%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AV4194

4-Aminocyclohexanone Hydrochloride, >98.0%(T)

Product No: AV4194

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AV4194

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?