Name: Name:2-(benzylamino)-2-(1-methyl-1H-pyrazol-5-yl)acetic acid dihydrochloride
Brand: Angene
SKU: AG01C3TT
Rating: 90 (10 reviews)

2-(benzylamino)-2-(1-methyl-1H-pyrazol-5-yl)acetic acid dihydrochloride

CAS No.:

1909311-88-1

Catalog Number:

AG01C3TT

Molecular Formula:

C13H17Cl2N3O2

Molecular Weight:

318.1990

Catalog Number:

AG01C3TT

Chemical Name:

2-(benzylamino)-2-(1-methyl-1H-pyrazol-5-yl)acetic acid dihydrochloride

CAS Number:

1909311-88-1

Molecular Formula:

C13H17Cl2N3O2

Molecular Weight:

318.1990

MDL Number:

MFCD29762879

IUPAC Name:

2-(benzylamino)-2-(2-methylpyrazol-3-yl)acetic acid;dihydrochloride

InChI:

InChI=1S/C13H15N3O2.2ClH/c1-16-11(7-8-15-16)12(13(17)18)14-9-10-5-3-2-4-6-10;;/h2-8,12,14H,9H2,1H3,(H,17,18);2*1H

InChI Key:

SCNRRRBLLZUJHR-UHFFFAOYSA-N

SMILES:

OC(=O)C(c1ccnn1C)NCc1ccccc1.Cl.Cl

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.07g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.198g/mol

Monoisotopic Mass:

317.07g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: