Name: Name:Benzoic acid, 4-amino-2-methyl-, 1,1-dimethylethyl ester (9CI)
Brand: Angene
SKU: AG00DK13
Rating: 90 (10 reviews)

Benzoic acid, 4-amino-2-methyl-, 1,1-dimethylethyl ester (9CI)

CAS No.:

445003-39-4

Catalog Number:

AG00DK13

Molecular Formula:

C12H17NO2

Molecular Weight:

207.2689

Catalog Number:

AG00DK13

Chemical Name:

Benzoic acid, 4-amino-2-methyl-, 1,1-dimethylethyl ester (9CI)

CAS Number:

445003-39-4

Molecular Formula:

C12H17NO2

Molecular Weight:

207.2689

MDL Number:

MFCD16117738

IUPAC Name:

tert-butyl 4-amino-2-methylbenzoate

InChI:

InChI=1S/C12H17NO2/c1-8-7-9(13)5-6-10(8)11(14)15-12(2,3)4/h5-7H,13H2,1-4H3

InChI Key:

BURPOKPTYKVJAT-UHFFFAOYSA-N

SMILES:

Nc1ccc(c(c1)C)C(=O)OC(C)(C)C

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.273g/mol

Monoisotopic Mass:

207.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4