Home Carboxys Ethyl 1,4-diazepane-1-carboxylate ,97%

Ethyl 1,4-diazepane-1-carboxylate ,97%

CAS No.:
18739-39-4
Catalog Number:
AG00AD1W
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
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Product Description
Catalog Number:
AG00AD1W
Chemical Name:
Ethyl 1,4-diazepane-1-carboxylate ,97%
CAS Number:
18739-39-4
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
MDL Number:
MFCD09803416
IUPAC Name:
ethyl 1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C8H16N2O2/c1-2-12-8(11)10-6-3-4-9-5-7-10/h9H,2-7H2,1H3
InChI Key:
CYXOGUSFYRBSJU-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCNCCC1
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties