Name: Name:2H-Pyran-4-acetonitrile, tetrahydro-α-[(phenylmethyl)amino]-
Brand: Angene
SKU: AG000X3T
Rating: 90 (10 reviews)

2H-Pyran-4-acetonitrile, tetrahydro-α-[(phenylmethyl)amino]-

CAS No.:

1274825-09-0

Catalog Number:

AG000X3T

Molecular Formula:

C14H18N2O

Molecular Weight:

230.3055

Catalog Number:

AG000X3T

Chemical Name:

2H-Pyran-4-acetonitrile, tetrahydro-α-[(phenylmethyl)amino]-

CAS Number:

1274825-09-0

Molecular Formula:

C14H18N2O

Molecular Weight:

230.3055

MDL Number:

MFCD17337652

IUPAC Name:

2-(benzylamino)-2-(oxan-4-yl)acetonitrile

InChI:

InChI=1S/C14H18N2O/c15-10-14(13-6-8-17-9-7-13)16-11-12-4-2-1-3-5-12/h1-5,13-14,16H,6-9,11H2

InChI Key:

RFRMCLSXWSTZKD-UHFFFAOYSA-N

SMILES:

N#CC(C1CCOCC1)NCc1ccccc1

Complexity:

259

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.311g/mol

Monoisotopic Mass:

230.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7