Name: Name:3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(phenylmethyl)-, ethyl ester
Brand: Angene
SKU: AG000HFA
Rating: 90 (10 reviews)

3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(phenylmethyl)-, ethyl ester

CAS No.:

1159982-41-8

Catalog Number:

AG000HFA

Molecular Formula:

C15H19NO2

Molecular Weight:

245.3169

Catalog Number:

AG000HFA

Chemical Name:

3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(phenylmethyl)-, ethyl ester

CAS Number:

1159982-41-8

Molecular Formula:

C15H19NO2

Molecular Weight:

245.3169

MDL Number:

MFCD01365980

IUPAC Name:

ethyl 1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate

InChI:

InChI=1S/C15H19NO2/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13/h3-5,7-9H,2,6,10-12H2,1H3

InChI Key:

GATVCEPLAPUOKG-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1=CCCN(C1)Cc1ccccc1

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.322g/mol

Monoisotopic Mass:

245.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4