Name: Name:2-Piperidinecarbonitrile, ethanedioate (2:1), (2S)-
Brand: Angene
SKU: AG002IPF
Rating: 90 (10 reviews)

2-Piperidinecarbonitrile, ethanedioate (2:1), (2S)-

CAS No.:

2068138-09-8

Catalog Number:

AG002IPF

Molecular Formula:

C14H22N4O4

Molecular Weight:

310.3489

Catalog Number:

AG002IPF

Chemical Name:

2-Piperidinecarbonitrile, ethanedioate (2:1), (2S)-

CAS Number:

2068138-09-8

Molecular Formula:

C14H22N4O4

Molecular Weight:

310.3489

MDL Number:

MFCD30471649

IUPAC Name:

oxalic acid;(2S)-piperidine-2-carbonitrile

InChI:

InChI=1S/2C6H10N2.C2H2O4/c2*7-5-6-3-1-2-4-8-6;3-1(4)2(5)6/h2*6,8H,1-4H2;(H,3,4)(H,5,6)/t2*6-;/m00./s1

InChI Key:

KDTSPGXIUDSRCB-UAIGZDOSSA-N

SMILES:

OC(=O)C(=O)O.N#C[C@@H]1CCCCN1.N#C[C@@H]1CCCCN1

Complexity:

183

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.164g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.354g/mol

Monoisotopic Mass:

310.164g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

146A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: