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Product No: BX4468

1-Methylazepan-2-one, 98%

Name: 1-Methylazepan-2-one
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

2556-73-2

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About this item

IUPAC name	1-methylazepan-2-one
canonical smiles	CN1CCCCCC1=O
inchi	InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3
inchi key	ZWXPDGCFMMFNRW-UHFFFAOYSA-N
molecular formula	C7H13NO
synonyms	N-Methylcaprolactam 1-methylazepan-2-one 2556-73-2 1-Methylcaprolactam 2H-Azepin-2-one, hexahydro-1-methyl-
Compound Description	N-methylcaprolactam is a member of caprolactams.

Computed Properties

Molecular Weight:	127.18 g/mol
XLogP3:	0.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	127.099714038 g/mol
Monoisotopic Mass:	127.099714038 g/mol
Topological Polar Surface Area:	20.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	112
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:	1
Compound Is Canonicalized:	Yes

Related Compounds

Carvone, (+/-)-

Cyclohexanol

Methylpyrrolidone

gamma-Butyrolactone

Furfural

Guaiacol

1,4-Benzoquinone

O-Xylene

Dazomet

5-Chloro-2-methyl-4-isothiazolin-3-one

2-Chloroacetophenone

2-Methyl-4-isothiazolin-3-one

Benzofuran

Benzothiazole

1,2-Dichlorobenzene

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) Acute Tox. 4 (86.96%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (86.96%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): 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	1-methylazepan-2-one
canonical smiles	CN1CCCCCC1=O
inchi	InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3
inchi key	ZWXPDGCFMMFNRW-UHFFFAOYSA-N
molecular formula	C7H13NO
synonyms	N-Methylcaprolactam 1-methylazepan-2-one 2556-73-2 1-Methylcaprolactam 2H-Azepin-2-one, hexahydro-1-methyl-
Compound Description	N-methylcaprolactam is a member of caprolactams.

Computed Properties

Molecular Weight:	127.18 g/mol
XLogP3:	0.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	127.099714038 g/mol
Monoisotopic Mass:	127.099714038 g/mol
Topological Polar Surface Area:	20.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	112
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:	1
Compound Is Canonicalized:	Yes

Related Compounds

Carvone, (+/-)-

Cyclohexanol

Methylpyrrolidone

gamma-Butyrolactone

Furfural

Guaiacol

1,4-Benzoquinone

O-Xylene

Dazomet

5-Chloro-2-methyl-4-isothiazolin-3-one

2-Chloroacetophenone

2-Methyl-4-isothiazolin-3-one

Benzofuran

Benzothiazole

1,2-Dichlorobenzene

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) Acute Tox. 4 (86.96%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (86.96%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BX4468

1-Methylazepan-2-one, 98%

Product No: BX4468

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: BX4468

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?