Name: Name:TERT-BUTYL 4-(CHLOROMETHYL)-4-CYANOPIPERIDINE-1-CARBOXYLATE
Brand: Angene
SKU: AG01ELUV
Rating: 90 (10 reviews)

TERT-BUTYL 4-(CHLOROMETHYL)-4-CYANOPIPERIDINE-1-CARBOXYLATE

CAS No.:

117032-81-2

Catalog Number:

AG01ELUV

Molecular Formula:

C12H19ClN2O2

Molecular Weight:

258.7445

Catalog Number:

AG01ELUV

Chemical Name:

TERT-BUTYL 4-(CHLOROMETHYL)-4-CYANOPIPERIDINE-1-CARBOXYLATE

CAS Number:

117032-81-2

Molecular Formula:

C12H19ClN2O2

Molecular Weight:

258.7445

MDL Number:

MFCD24466630

IUPAC Name:

tert-butyl 4-(chloromethyl)-4-cyanopiperidine-1-carboxylate

InChI:

InChI=1S/C12H19ClN2O2/c1-11(2,3)17-10(16)15-6-4-12(8-13,9-14)5-7-15/h4-8H2,1-3H3

InChI Key:

ZWSWUDWUDLAILP-UHFFFAOYSA-N

SMILES:

ClCC1(CCN(CC1)C(=O)OC(C)(C)C)C#N

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.746g/mol

Monoisotopic Mass:

258.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7