Structure

Amiprofos methyl

CAS
36001-88-4
Catalog Number
ACM36001884-1
Category
Inhibitors
Molecular Weight
304.30
Molecular Formula
C11H17N2O4PS

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Specification

Description
Amiprofos methyl (BAY-NTN 6867) is a phosphoric amide herbicide. Amiprofos methyl is a specific and potent antimicrotubule agent. Amiprofos methyl directly poisons microtubule dynamics in plant cells.
Synonyms
Amiprophos methyl; N-[methoxy-(4-methyl-2-nitrophenoxy)phosphinothioyl]propan-2-amine
IUPAC Name
N-[methoxy-(4-methyl-2-nitrophenoxy)phosphinothioyl]propan-2-amine
Canonical SMILES
CC1=CC(=C(C=C1)OP(=S)(NC(C)C)OC)[N+](=O)[O-]
InChI
VHEWQRWLIDWRMR-UHFFFAOYSA-N
InChI Key
InChI=1S/C11H17N2O4PS/c1-8(2)12-18(19,16-4)17-11-6-5-9(3)7-10(11)13(14)15/h5-8H,1-4H3,(H,12,19)
Boiling Point
146.6 °C
Melting Point
-65 °C
Flash Point
189.6ºC
Density
1.275g/cm³
Appearance
Solid
Storage
Powder-20°C, 3 years; In solvent-80°C. 6 months; -20°C, 1 month.
EC Number
252-829-4
Exact Mass
304.06500
Hazard Statements
Xn
H-Bond Acceptor
5
H-Bond Donor
1
Isomeric SMILES
CC1=CC(=C(C=C1)OP(=S)(NC(C)C)OC)[N+](=O)[O-]
Safety Description
36
Shipping
Can be shipped at room temperature, where not in use may vary.
Supplemental Hazard Statements
H302
Symbol
GHS07
What is the IUPAC name of the compound?

The IUPAC name of the compound is N-[methoxy-(4-methyl-2-nitrophenoxy)phosphinothioyl]propan-2-amine.

What is the molecular formula of the compound?

The molecular formula of the compound is C11H17N2O4PS.

What is the molecular weight of the compound?

The molecular weight of the compound is 304.30g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 36001-88-4.

How many hydrogen bond acceptors does the compound have?

The compound has 6 hydrogen bond acceptors.

How many rotatable bonds does the compound have?

The compound has 5 rotatable bonds.

What is the Exact Mass of the compound?

The Exact Mass of the compound is 304.06466520.

What is the Monoisotopic Mass of the compound?

The Monoisotopic Mass of the compound is 304.06466520.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CC1=CC(=C(C=C1)OP(=S)(NC(C)C)OC)[N+](=O)[O-].

What are some of the other synonyms for the compound?

Some other synonyms for the compound include Amiprophos methyl, Amiprofos-methyl, NTN 2975, and BAY ntn6867.

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