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Product No: DT7863

7-Amino-4-methylcoumarin, min.99% (NMR)

Name: 7-Amino-4-methylcoumarin
Brand: Chempure

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CAS Number

26093-31-2

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IUPAC name	7-amino-4-methylchromen-2-one
canonical smiles	CC1=CC(=O)OC2=C1C=CC(=C2)N
inchi	InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
inchi key	GLNDAGDHSLMOKX-UHFFFAOYSA-N
molecular formula	C10H9NO2
synonyms	7-Amino-4-methylcoumarin 26093-31-2 Coumarin 120 7-Amino-4-methyl-2H-chromen-2-one 2H-1-Benzopyran-2-one, 7-amino-4-methyl-
Compound Description	Coumarin 120 is a member of 7-aminocoumarins. It has a role as a fluorochrome. 7-Amino-4-methylcoumarin is a natural product found in Nicotiana tabacum with data available.

Computed Properties

Molecular Weight:	175.18 g/mol
XLogP3:	1.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	175.063328530 g/mol
Monoisotopic Mass:	175.063328530 g/mol
Topological Polar Surface Area:	52.3 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	260
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

2-Mercaptobenzothiazole

Hymecromone

2-Naphthylamine

Umbelliferone

3,4-Dihydrocoumarin

4-Methylesculetin

2-Methoxynaphthalene

Tioxolone

7-Amino-4-methylcoumarin

4,7-Dihydroxycoumarin

7,8-Dihydroxy-4-methylcoumarin

7-Diethylamino-4-methylcoumarin

4-(Trifluoromethyl)aniline

5,7-Dihydroxy-4-methylcoumarin

7-(Dimethylamino)-4-methylcoumarin

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	May cause skin and respiratory tract irritation. The 3 laser dyes tested for skin sensitization were found to be negative. See Coumarin.

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Documentation

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*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	7-amino-4-methylchromen-2-one
canonical smiles	CC1=CC(=O)OC2=C1C=CC(=C2)N
inchi	InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
inchi key	GLNDAGDHSLMOKX-UHFFFAOYSA-N
molecular formula	C10H9NO2
synonyms	7-Amino-4-methylcoumarin 26093-31-2 Coumarin 120 7-Amino-4-methyl-2H-chromen-2-one 2H-1-Benzopyran-2-one, 7-amino-4-methyl-
Compound Description	Coumarin 120 is a member of 7-aminocoumarins. It has a role as a fluorochrome. 7-Amino-4-methylcoumarin is a natural product found in Nicotiana tabacum with data available.

Computed Properties

Molecular Weight:	175.18 g/mol
XLogP3:	1.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	175.063328530 g/mol
Monoisotopic Mass:	175.063328530 g/mol
Topological Polar Surface Area:	52.3 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	260
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

2-Mercaptobenzothiazole

Hymecromone

2-Naphthylamine

Umbelliferone

3,4-Dihydrocoumarin

4-Methylesculetin

2-Methoxynaphthalene

Tioxolone

7-Amino-4-methylcoumarin

4,7-Dihydroxycoumarin

7,8-Dihydroxy-4-methylcoumarin

7-Diethylamino-4-methylcoumarin

4-(Trifluoromethyl)aniline

5,7-Dihydroxy-4-methylcoumarin

7-(Dimethylamino)-4-methylcoumarin

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	May cause skin and respiratory tract irritation. The 3 laser dyes tested for skin sensitization were found to be negative. See Coumarin.

Product No: DT7863

7-Amino-4-methylcoumarin, min.99% (NMR)

Product No: DT7863

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: DT7863

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?