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2060000-72-6 | tert-butyl N-[(1-benzyl-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
CAS No: 2060000-72-6 Catalog No: AG01BS1R MDL No:MFCD30536010
Product Description
Catalog Number:
AG01BS1R
Chemical Name:
tert-butyl N-[(1-benzyl-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
CAS Number:
2060000-72-6
Molecular Formula:
C22H28N2O2
Molecular Weight:
352.4699
MDL Number:
MFCD30536010
IUPAC Name:
tert-butyl N-[(1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methyl]carbamate
InChI:
InChI=1S/C22H28N2O2/c1-22(2,3)26-21(25)23-14-18-13-19-11-7-8-12-20(19)24(16-18)15-17-9-5-4-6-10-17/h4-12,18H,13-16H2,1-3H3,(H,23,25)
InChI Key:
JMCYGGKINFUVMD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CN(Cc2ccccc2)c2c(C1)cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.215g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.478g/mol
Monoisotopic Mass:
352.215g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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