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2108722-93-4 | "methanol; tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-6-yl)carbamate"
CAS No: 2108722-93-4 Catalog No: AG01FMF5 MDL No:MFCD30179981
Product Description
Catalog Number:
AG01FMF5
Chemical Name:
"methanol; tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-6-yl)carbamate"
CAS Number:
2108722-93-4
Molecular Formula:
C15H25N3O3
Molecular Weight:
295.3773
MDL Number:
MFCD30179981
IUPAC Name:
tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-6-yl)carbamate;methanol
InChI:
InChI=1S/C14H21N3O2.CH4O/c1-14(2,3)19-13(18)17-11-4-5-12-9(7-11)6-10(15)8-16-12;1-2/h6,8,11H,4-5,7,15H2,1-3H3,(H,17,18);2H,1H3
InChI Key:
LVJVPTJYWXOHTD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCc2c(C1)cc(cn2)N.CO
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.19g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.383g/mol
Monoisotopic Mass:
295.19g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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