Name: Name:tert-butyl 4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]piperidine-1-carboxylate
Brand: Angene
SKU: AG01B2J7
Rating: 90 (10 reviews)

tert-butyl 4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]piperidine-1-carboxylate

CAS No.:

1229516-72-6

Catalog Number:

AG01B2J7

Molecular Formula:

C13H23N5O2

Molecular Weight:

281.3540

Catalog Number:

AG01B2J7

Chemical Name:

tert-butyl 4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]piperidine-1-carboxylate

CAS Number:

1229516-72-6

Molecular Formula:

C13H23N5O2

Molecular Weight:

281.3540

MDL Number:

MFCD24683287

IUPAC Name:

tert-butyl 4-[4-(aminomethyl)triazol-1-yl]piperidine-1-carboxylate

InChI:

InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)17-6-4-11(5-7-17)18-9-10(8-14)15-16-18/h9,11H,4-8,14H2,1-3H3

InChI Key:

ZBVAVTOHPUDXRL-UHFFFAOYSA-N

SMILES:

NCc1nnn(c1)C1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.185g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.36g/mol

Monoisotopic Mass:

281.185g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1