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887591-04-0 | (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-5-YL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 887591-04-0 Catalog No: AG00GRPB MDL No:MFCD06656938
Product Description
Catalog Number:
AG00GRPB
Chemical Name:
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-5-YL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
887591-04-0
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD06656938
IUPAC Name:
tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
InChI:
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-6-4-5-10-9-15-8-7-11(10)12/h4-6,15H,7-9H2,1-3H3,(H,16,17)
InChI Key:
JXHAKLFEWQOFND-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cccc2c1CCNC2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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