Home Other Building Blocks ethyl 2-(1,4-diazepan-1-yl)acetate dihydrochloride

ethyl 2-(1,4-diazepan-1-yl)acetate dihydrochloride

CAS No.:
1171427-48-7
Catalog Number:
AG019LI1
Molecular Formula:
C9H20Cl2N2O2
Molecular Weight:
259.1733
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Product Description
Catalog Number:
AG019LI1
Chemical Name:
ethyl 2-(1,4-diazepan-1-yl)acetate dihydrochloride
CAS Number:
1171427-48-7
Molecular Formula:
C9H20Cl2N2O2
Molecular Weight:
259.1733
MDL Number:
MFCD09971458
IUPAC Name:
ethyl 2-(1,4-diazepan-1-yl)acetate;dihydrochloride
InChI:
InChI=1S/C9H18N2O2.2ClH/c1-2-13-9(12)8-11-6-3-4-10-5-7-11;;/h10H,2-8H2,1H3;2*1H
InChI Key:
WCMOMHYTQOTCKC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1CCNCCC1.Cl.Cl
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
259.171g/mol
Monoisotopic Mass:
258.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties