Name: Name:Tert-Butyl 4-(2-(2-Cyanoethyl)Phenyl)-5,6-Dihydropyridine-1(2H)-Carboxylate
Brand: Angene
SKU: AG01DJQH
Rating: 90 (10 reviews)

Tert-Butyl 4-(2-(2-Cyanoethyl)Phenyl)-5,6-Dihydropyridine-1(2H)-Carboxylate

CAS No.:

2007910-61-2

Catalog Number:

AG01DJQH

Molecular Formula:

C19H24N2O2

Molecular Weight:

312.4061

Catalog Number:

AG01DJQH

Chemical Name:

Tert-Butyl 4-(2-(2-Cyanoethyl)Phenyl)-5,6-Dihydropyridine-1(2H)-Carboxylate

CAS Number:

2007910-61-2

Molecular Formula:

C19H24N2O2

Molecular Weight:

312.4061

MDL Number:

MFCD30472092

IUPAC Name:

tert-butyl 4-[2-(2-cyanoethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

InChI:

InChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-13-10-16(11-14-21)17-9-5-4-7-15(17)8-6-12-20/h4-5,7,9-10H,6,8,11,13-14H2,1-3H3

InChI Key:

VAGFQRNTYVJNGL-UHFFFAOYSA-N

SMILES:

N#CCCc1ccccc1C1=CCN(CC1)C(=O)OC(C)(C)C

Complexity:

495

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.184g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.413g/mol

Monoisotopic Mass:

312.184g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9