Name: Name:tert-butyl 5-amino-8-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
Brand: Angene
SKU: AG01BPX1
Rating: 90 (10 reviews)

tert-butyl 5-amino-8-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

CAS No.:

2060052-26-6

Catalog Number:

AG01BPX1

Molecular Formula:

C15H22N2O3

Molecular Weight:

278.3468

Catalog Number:

AG01BPX1

Chemical Name:

tert-butyl 5-amino-8-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

CAS Number:

2060052-26-6

Molecular Formula:

C15H22N2O3

Molecular Weight:

278.3468

MDL Number:

MFCD11208597

IUPAC Name:

tert-butyl 5-amino-8-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-7-6-11-12(8-17)10(9-18)4-5-13(11)16/h4-5,18H,6-9,16H2,1-3H3

InChI Key:

KPFUBSMCVDLTTO-UHFFFAOYSA-N

SMILES:

OCc1ccc(c2c1CN(CC2)C(=O)OC(C)(C)C)N

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.352g/mol

Monoisotopic Mass:

278.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1