Name: Name:1(2H)-Pyridinecarboxylic acid, 4-(3-aminophenyl)-3,6-dihydro-,1,1-dimethylethyl ester
Brand: Angene
SKU: AG00I7OS
Rating: 90 (10 reviews)

1(2H)-Pyridinecarboxylic acid, 4-(3-aminophenyl)-3,6-dihydro-,1,1-dimethylethyl ester

CAS No.:

387827-18-1

Catalog Number:

AG00I7OS

Molecular Formula:

C16H22N2O2

Molecular Weight:

274.3581

Catalog Number:

AG00I7OS

Chemical Name:

1(2H)-Pyridinecarboxylic acid, 4-(3-aminophenyl)-3,6-dihydro-,1,1-dimethylethyl ester

CAS Number:

387827-18-1

Molecular Formula:

C16H22N2O2

Molecular Weight:

274.3581

MDL Number:

MFCD24465705

IUPAC Name:

tert-butyl 4-(3-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

InChI:

InChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-7,11H,8-10,17H2,1-3H3

InChI Key:

HPSJZYBXANBFJH-UHFFFAOYSA-N

SMILES:

Nc1cccc(c1)C1=CCN(CC1)C(=O)OC(C)(C)C

Complexity:

384

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.364g/mol

Monoisotopic Mass:

274.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3