Name: Name:3-[(3,4-dimethyl-2,6-dinitrophenyl)amino]pentan-2-ol, Mixture of diastereomers
Brand: Angene
SKU: AG01DV6H
Rating: 90 (10 reviews)

3-[(3,4-dimethyl-2,6-dinitrophenyl)amino]pentan-2-ol, Mixture of diastereomers

CAS No.:

127971-54-4

Catalog Number:

AG01DV6H

Molecular Formula:

C13H19N3O5

Molecular Weight:

297.3071

Catalog Number:

AG01DV6H

Chemical Name:

3-[(3,4-dimethyl-2,6-dinitrophenyl)amino]pentan-2-ol, Mixture of diastereomers

CAS Number:

127971-54-4

Molecular Formula:

C13H19N3O5

Molecular Weight:

297.3071

MDL Number:

MFCD31689856

IUPAC Name:

3-(3,4-dimethyl-2,6-dinitroanilino)pentan-2-ol

InChI:

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

InChI Key:

RDXISYZKTOBPEZ-UHFFFAOYSA-N

SMILES:

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

Complexity:

381

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: