Pyribambenz-Propyl

CAT: 1596-AR-P33272-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P33272-03Size:50 Units

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CAS Number

420138-40-5

Synonyms

Propyl 4- ((2- ((4,6-dimethoxypyrimidin-2-yl) oxy) benzyl) amino) benzoate

Molecular Formula

C23H25N3O5

Molecular Weight

423.47

API Name

Pyribambenz

Chemical Information

Propyl 4-(2-(4,6-dimethoxypyrimidin-2-yloxy)benzylamino)benzoate

an herbicide for use on rape crops; structure in first source

CAS Number	420138-40-5
PubChem CID	12151362
IUPAC Name	propyl 4-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylamino]benzoate
Molecular Formula	C23H25N3O5
Molecular Weight	423.5
XLogP	4.9
Topological Polar Surface Area	91.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Heavy Atom Count	31
Formal Charge	0
Complexity	517

SMILES

CCCOC(=O)C1=CC=C(C=C1)NCC2=CC=CC=C2OC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C23H25N3O5/c1-4-13-30-22(27)16-9-11-18(12-10-16)24-15-17-7-5-6-8-19(17)31-23-25-20(28-2)14-21(26-23)29-3/h5-12,14,24H,4,13,15H2,1-3H3

InChIKey

ZHYPDEKPSXOZKN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 420138-40-5

CID: 12151362

Formula: C23H25N3O5

MW: 423.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	423.5
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	423.17942091
Monoisotopic Mass	423.17942091
Topological Polar Surface Area	91.8 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	517
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

Catalog	Name
AR-P33271-01	Pyribambenz-Isopropyl
AR-P33274-01	N-Nitroso Pyribambenz-Isopropyl
AR-C04094-01	Propyl 4-Hydroxybenzoate (Propyl Paraben)
AR-G01073-01	Propyl Gallate
AR-B06667-01	Propyl Protocatechuate
AR-V01099-01	Propyl Valpronate
AR-T04919-01	Propyl Thiocyanate
AR-I01096-01	Propyl Ibuprofen
AR-A05434-01	Propyl Acetoacetate
AR-P33043-01	Propyl Acetate

Catalog	Name
CS-O-36973	Pyribambenz-propyl
TRC-P420130-250MG	Pyribambenz-Isopropyl
TRC-P838285-10G	Propyl 4-Hydroxybenzoate(Propyl Paraben)
OR1027142-01	[3- (Dimethylamino) Propyl] (Propyl) Amine
MBS6094085-01	2-Propyl Valeraldehyde (2-Propyl Pentyraldehyde)
TRC-P358050-500MG	2-Propyl-propyl Ester Hexanoic Acid
441010-01	Adipic Acid Propyl 2-Propyl Ester
1161840 5	Propyl-p -Hydroxy Benzoate (Propyl Paraben)
T203867-01	Propyl Levulinate
T87252-01	Propyl red