Name: Name:tert-butyl 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidine-1-carboxylate
Brand: Angene
SKU: AG01BVT8
Rating: 90 (10 reviews)

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

CAS No.:

2059993-08-5

Catalog Number:

AG01BVT8

Molecular Formula:

C12H20N4O3

Molecular Weight:

268.3122

Catalog Number:

AG01BVT8

Chemical Name:

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

CAS Number:

2059993-08-5

Molecular Formula:

C12H20N4O3

Molecular Weight:

268.3122

MDL Number:

MFCD29479175

IUPAC Name:

tert-butyl 3-[4-(hydroxymethyl)triazol-1-yl]pyrrolidine-1-carboxylate

InChI:

InChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)15-5-4-10(7-15)16-6-9(8-17)13-14-16/h6,10,17H,4-5,7-8H2,1-3H3

InChI Key:

NUYVNUCEBQUIDR-UHFFFAOYSA-N

SMILES:

OCc1nnn(c1)C1CCN(C1)C(=O)OC(C)(C)C

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.154g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.317g/mol

Monoisotopic Mass:

268.154g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2