Home Aldehydes 1,4-Diazepane-1-carbaldehyde

1,4-Diazepane-1-carbaldehyde

CAS No.:
29053-62-1
Catalog Number:
AG002X6V
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
94%
In Stock USA
United States
$136
- +
5g
94%
In Stock USA
United States
$229
- +
Product Description
Catalog Number:
AG002X6V
Chemical Name:
1,4-Diazepane-1-carbaldehyde
CAS Number:
29053-62-1
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
MDL Number:
MFCD01318149
IUPAC Name:
1,4-diazepane-1-carbaldehyde
InChI:
InChI=1S/C6H12N2O/c9-6-8-4-1-2-7-3-5-8/h6-7H,1-5H2
InChI Key:
RNNVQNMOFQXXTH-UHFFFAOYSA-N
SMILES:
O=CN1CCNCCC1
Properties
Complexity:
95.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.095g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.175g/mol
Monoisotopic Mass:
128.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties