Home Other Building Blocks N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine dihydrochloride

N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine dihydrochloride

CAS No.:
1803599-19-0
Catalog Number:
AG01BEIS
Molecular Formula:
C12H24Cl2N4O
Molecular Weight:
311.2512
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Product Description
Catalog Number:
AG01BEIS
Chemical Name:
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine dihydrochloride
CAS Number:
1803599-19-0
Molecular Formula:
C12H24Cl2N4O
Molecular Weight:
311.2512
MDL Number:
MFCD28064067
IUPAC Name:
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;dihydrochloride
InChI:
InChI=1S/C12H22N4O.2ClH/c1-3-16(9-12-14-10(2)17-15-12)11-5-4-7-13-8-6-11;;/h11,13H,3-9H2,1-2H3;2*1H
InChI Key:
PJAJIOBJDUAVOO-UHFFFAOYSA-N
SMILES:
CCN(C1CCNCCC1)Cc1noc(n1)C.Cl.Cl
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.133g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
311.251g/mol
Monoisotopic Mass:
310.133g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties