Name: Name:tert-Butyl 6-amino-7-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate
Brand: Angene
SKU: AG00IGKU
Rating: 90 (10 reviews)

tert-Butyl 6-amino-7-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate

CAS No.:

912846-75-4

Catalog Number:

AG00IGKU

Molecular Formula:

C14H19ClN2O2

Molecular Weight:

282.7659

Catalog Number:

AG00IGKU

Chemical Name:

tert-Butyl 6-amino-7-chloro-3,4-dihydroisoquinoline-2(1H)-carboxylate

CAS Number:

912846-75-4

Molecular Formula:

C14H19ClN2O2

Molecular Weight:

282.7659

MDL Number:

MFCD18157615

IUPAC Name:

tert-butyl 6-amino-7-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

InChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-5-4-9-7-12(16)11(15)6-10(9)8-17/h6-7H,4-5,8,16H2,1-3H3

InChI Key:

LRKZNWCMZBFQIX-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(C1)cc(c(c2)N)Cl)OC(C)(C)C

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.768g/mol

Monoisotopic Mass:

282.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6