Name: Name:tert-butyl N-({1-[3-(aminomethyl)phenyl]-1H-1,2,3-triazol-4-yl}methyl)carbamate
Brand: Angene
SKU: AG01BRPB
Rating: 90 (10 reviews)

tert-butyl N-({1-[3-(aminomethyl)phenyl]-1H-1,2,3-triazol-4-yl}methyl)carbamate

CAS No.:

2060041-97-4

Catalog Number:

AG01BRPB

Molecular Formula:

C15H21N5O2

Molecular Weight:

303.3595

Catalog Number:

AG01BRPB

Chemical Name:

tert-butyl N-({1-[3-(aminomethyl)phenyl]-1H-1,2,3-triazol-4-yl}methyl)carbamate

CAS Number:

2060041-97-4

Molecular Formula:

C15H21N5O2

Molecular Weight:

303.3595

MDL Number:

MFCD30535845

IUPAC Name:

tert-butyl N-[[1-[3-(aminomethyl)phenyl]triazol-4-yl]methyl]carbamate

InChI:

InChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)17-9-12-10-20(19-18-12)13-6-4-5-11(7-13)8-16/h4-7,10H,8-9,16H2,1-3H3,(H,17,21)

InChI Key:

QHNLGPALHKDSLK-UHFFFAOYSA-N

SMILES:

NCc1cccc(c1)n1nnc(c1)CNC(=O)OC(C)(C)C

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

303.17g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.366g/mol

Monoisotopic Mass:

303.17g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7