Home Carboxys (E)-1-tert-Butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate

(E)-1-tert-Butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate

CAS No.:
912444-89-4
Catalog Number:
AG006DBW
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$135
- +
250mg
95%
In Stock USA
United States
$236
- +
1g
95%
In Stock USA
United States
$588
- +
5g
95%
In Stock USA
United States
$1764
- +
Product Description
Catalog Number:
AG006DBW
Chemical Name:
(E)-1-tert-Butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CAS Number:
912444-89-4
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
MDL Number:
MFCD11114566
IUPAC Name:
1-O-tert-butyl 4-O-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
InChI:
InChI=1S/C14H23NO4/c1-5-18-12(16)11-7-6-9-15(10-8-11)13(17)19-14(2,3)4/h7H,5-6,8-10H2,1-4H3
InChI Key:
OQQBVXIIESRTAD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CCCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.163g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.341g/mol
Monoisotopic Mass:
269.163g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties