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Product No: DT7911

Amicarbazone, min.98% (HPLC)

Name: Amicarbazone
Brand: Chempure

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CAS Number

129909-90-6

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About this item

IUPAC name	4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide
canonical smiles	CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C
inchi	InChI=1S/C10H19N5O2/c1-6(2)7-13-15(9(17)14(7)11)8(16)12-10(3,4)5/h6H,11H2,1-5H3,(H,12,16)
inchi key	ORFPWVRKFLOQHK-UHFFFAOYSA-N
molecular formula	C10H19N5O2
synonyms	Amicarbazone 129909-90-6 4-Amino-N-(tert-butyl)-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide Amicarbazone [ISO] 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide
Compound Description	Amicarbazone is a member of the class of triazoles that is 4,5-dihydro-1H-1,2,4-triazol-5-one which is substituted at position 1 by a tert-butylaminocarbonyl group and at position 3 by an isopropyl group. A selective herbicide for pre- and post-emergence control of annual dicotyledonous weeds and grasses, it is not approved for use within the European Union. It has a role as a herbicide. It is a member of triazoles and a carbohydrazide.

Computed Properties

Molecular Weight:	241.29 g/mol
XLogP3:	1
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	2
Exact Mass:	241.15387487 g/mol
Monoisotopic Mass:	241.15387487 g/mol
Topological Polar Surface Area:	91 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	369
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

Amicarbazone

N-Isopropylbenzamide

BENZAMIDE, p-CHLORO-N-ISOPROPYL-

Benzamide, 3,5-dichloro-N-(1-methylethyl)-

3-bromo-N-isopropylbenzamide

N-tert-butyl-2,3,4,5,6-pentafluorobenzamide

1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-(1-methylethyl)-2,4-dioxo-

N-Isopropyl-4-methylbenzamide

N-tert-butyl-4-isopropyl-3-methyl-5-oxoisoxazole-2(5H)-carboxamide

N,2-ditert-butyl-1,3-thiazole-5-carboxamide

1-(3-Tert-butyl-4-hydroxyphenyl)propan-1-one

3,4-dichloro-N-propan-2-ylbenzamide

tert-butyl 4-methyl-5-oxo-2H-pyrrole-1-carboxylate

N-tert-butylpyrrole-1-carboxamide

N-(tert-Butyl)-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Acute Tox. 4 (64.71%) Aquatic Acute 1 (35.29%) Aquatic Chronic 1 (35.29%)
precautionary statement codes	P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (64.71%): Harmful if inhaled [Warning Acute toxicity, inhalation] H400 (35.29%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (35.29%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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Certificate of Analysis

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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-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide
canonical smiles	CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C
inchi	InChI=1S/C10H19N5O2/c1-6(2)7-13-15(9(17)14(7)11)8(16)12-10(3,4)5/h6H,11H2,1-5H3,(H,12,16)
inchi key	ORFPWVRKFLOQHK-UHFFFAOYSA-N
molecular formula	C10H19N5O2
synonyms	Amicarbazone 129909-90-6 4-Amino-N-(tert-butyl)-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide Amicarbazone [ISO] 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide
Compound Description	Amicarbazone is a member of the class of triazoles that is 4,5-dihydro-1H-1,2,4-triazol-5-one which is substituted at position 1 by a tert-butylaminocarbonyl group and at position 3 by an isopropyl group. A selective herbicide for pre- and post-emergence control of annual dicotyledonous weeds and grasses, it is not approved for use within the European Union. It has a role as a herbicide. It is a member of triazoles and a carbohydrazide.

Computed Properties

Molecular Weight:	241.29 g/mol
XLogP3:	1
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	2
Exact Mass:	241.15387487 g/mol
Monoisotopic Mass:	241.15387487 g/mol
Topological Polar Surface Area:	91 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	369
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

Amicarbazone

N-Isopropylbenzamide

BENZAMIDE, p-CHLORO-N-ISOPROPYL-

Benzamide, 3,5-dichloro-N-(1-methylethyl)-

3-bromo-N-isopropylbenzamide

N-tert-butyl-2,3,4,5,6-pentafluorobenzamide

1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-(1-methylethyl)-2,4-dioxo-

N-Isopropyl-4-methylbenzamide

N-tert-butyl-4-isopropyl-3-methyl-5-oxoisoxazole-2(5H)-carboxamide

N,2-ditert-butyl-1,3-thiazole-5-carboxamide

1-(3-Tert-butyl-4-hydroxyphenyl)propan-1-one

3,4-dichloro-N-propan-2-ylbenzamide

tert-butyl 4-methyl-5-oxo-2H-pyrrole-1-carboxylate

N-tert-butylpyrrole-1-carboxamide

N-(tert-Butyl)-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Acute Tox. 4 (64.71%) Aquatic Acute 1 (35.29%) Aquatic Chronic 1 (35.29%)
precautionary statement codes	P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (64.71%): Harmful if inhaled [Warning Acute toxicity, inhalation] H400 (35.29%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (35.29%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Product No: DT7911

Amicarbazone, min.98% (HPLC)

Product No: DT7911

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: DT7911

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?