Name: Name:2-methyl-1-(5-nitro-1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol
Brand: Angene
SKU: AG01A5M2
Rating: 90 (10 reviews)

2-methyl-1-(5-nitro-1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol

CAS No.:

1461707-42-5

Catalog Number:

AG01A5M2

Molecular Formula:

C13H18N2O3

Molecular Weight:

250.2936

Catalog Number:

AG01A5M2

Chemical Name:

2-methyl-1-(5-nitro-1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol

CAS Number:

1461707-42-5

Molecular Formula:

C13H18N2O3

Molecular Weight:

250.2936

MDL Number:

MFCD25970270

IUPAC Name:

2-methyl-1-(5-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

InChI:

InChI=1S/C13H18N2O3/c1-13(2,16)9-14-7-6-11-10(8-14)4-3-5-12(11)15(17)18/h3-5,16H,6-9H2,1-2H3

InChI Key:

NKGVPUQGPQZUBB-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc2c1CCN(C2)CC(O)(C)C

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.298g/mol

Monoisotopic Mass:

250.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6