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885273-85-8 | (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-3-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 885273-85-8 Catalog No: AG00GTUV MDL No:MFCD04114879
Product Description
Catalog Number:
AG00GTUV
Chemical Name:
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-3-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
885273-85-8
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
MDL Number:
MFCD04114879
IUPAC Name:
tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)carbamate
InChI:
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-13-8-11-6-4-5-7-12(11)9-16-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18)
InChI Key:
USHPJFZLSLVQET-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1NCc2c(C1)cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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