Name: Name:tert-butyl 2-[(2H-1,3-benzodioxol-5-yl)amino]acetate
Brand: Angene
SKU: AG019TFY
Rating: 90 (10 reviews)

tert-butyl 2-[(2H-1,3-benzodioxol-5-yl)amino]acetate

CAS No.:

139088-83-8

Catalog Number:

AG019TFY

Molecular Formula:

C13H17NO4

Molecular Weight:

251.2784

Catalog Number:

AG019TFY

Chemical Name:

tert-butyl 2-[(2H-1,3-benzodioxol-5-yl)amino]acetate

CAS Number:

139088-83-8

Molecular Formula:

C13H17NO4

Molecular Weight:

251.2784

MDL Number:

MFCD12650997

IUPAC Name:

tert-butyl 2-(1,3-benzodioxol-5-ylamino)acetate

InChI:

InChI=1S/C13H17NO4/c1-13(2,3)18-12(15)7-14-9-4-5-10-11(6-9)17-8-16-10/h4-6,14H,7-8H2,1-3H3

InChI Key:

CGTCHBQLRBQPCC-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)CNc1ccc2c(c1)OCO2

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.282g/mol

Monoisotopic Mass:

251.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6