Name: Name:3-[(2,2-dimethylpropyl)amino]-2-methylbenzoic acid
Brand: Angene
SKU: AG019SCY
Rating: 90 (10 reviews)

3-[(2,2-dimethylpropyl)amino]-2-methylbenzoic acid

CAS No.:

1249691-27-7

Catalog Number:

AG019SCY

Molecular Formula:

C13H19NO2

Molecular Weight:

221.2955

Catalog Number:

AG019SCY

Chemical Name:

3-[(2,2-dimethylpropyl)amino]-2-methylbenzoic acid

CAS Number:

1249691-27-7

Molecular Formula:

C13H19NO2

Molecular Weight:

221.2955

MDL Number:

MFCD14625245

IUPAC Name:

3-(2,2-dimethylpropylamino)-2-methylbenzoic acid

InChI:

InChI=1S/C13H19NO2/c1-9-10(12(15)16)6-5-7-11(9)14-8-13(2,3)4/h5-7,14H,8H2,1-4H3,(H,15,16)

InChI Key:

LMHUAURLHAKNDX-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1C)NCC(C)(C)C

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.3g/mol

Monoisotopic Mass:

221.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5