Name: Name:4-[(1-Ethylpropyl)amino]-2-methyl-3,5-dinitrobenzenemethanol
Brand: Angene
SKU: AG00378Z
Rating: 90 (10 reviews)

4-[(1-Ethylpropyl)amino]-2-methyl-3,5-dinitrobenzenemethanol

CAS No.:

56750-76-6

Catalog Number:

AG00378Z

Molecular Formula:

C13H19N3O5

Molecular Weight:

297.3071

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00378Z

Chemical Name:

4-[(1-Ethylpropyl)amino]-2-methyl-3,5-dinitrobenzenemethanol

CAS Number:

56750-76-6

Molecular Formula:

C13H19N3O5

Molecular Weight:

297.3071

IUPAC Name:

[2-methyl-3,5-dinitro-4-(pentan-3-ylamino)phenyl]methanol

InChI:

InChI=1S/C13H19N3O5/c1-4-10(5-2)14-12-11(15(18)19)6-9(7-17)8(3)13(12)16(20)21/h6,10,14,17H,4-5,7H2,1-3H3

InChI Key:

JXPNNQHCFMKVHK-UHFFFAOYSA-N

SMILES:

CCC(Nc1c(cc(c(c1[N+](=O)[O-])C)CO)[N+](=O)[O-])CC

Properties

Complexity:

364

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.311g/mol

Monoisotopic Mass:

297.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
Analysis of pendimethalin residues in fruit, nuts, vegetables, grass, and mint by gas chromatography.	Journal of agricultural and food chemistry 20010501