Home Carbonyls 7-Ethoxycarbonylamino-1-oxo-1,2,3,4-tetrahydro-isoquinoline

7-Ethoxycarbonylamino-1-oxo-1,2,3,4-tetrahydro-isoquinoline

CAS No.:
885273-79-0
Catalog Number:
AG0047MF
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 98% (NMR)
1 week
United States
$227
- +
250mg
≥ 98% (NMR)
1 week
United States
$417
- +
1g
≥ 98% (NMR)
1 week
United States
$779
- +
5g
≥ 98% (NMR)
1 week
United States
$3057
- +
Product Description
Catalog Number:
AG0047MF
Chemical Name:
7-Ethoxycarbonylamino-1-oxo-1,2,3,4-tetrahydro-isoquinoline
CAS Number:
885273-79-0
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD04114873
IUPAC Name:
ethyl N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamate
InChI:
InChI=1S/C12H14N2O3/c1-2-17-12(16)14-9-4-3-8-5-6-13-11(15)10(8)7-9/h3-4,7H,2,5-6H2,1H3,(H,13,15)(H,14,16)
InChI Key:
VDZLOVMXXYFJQA-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccc2c(c1)C(=O)NCC2
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties