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926191-91-5

926191-91-5 | 1-(METHOXYACETYL)-1,4-DIAZEPANE

CAS No: 926191-91-5 Catalog No: AG006G1O MDL No:MFCD09043726

Product Description

Catalog Number:
AG006G1O
Chemical Name:
1-(METHOXYACETYL)-1,4-DIAZEPANE
CAS Number:
926191-91-5
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
MDL Number:
MFCD09043726
IUPAC Name:
1-(1,4-diazepan-1-yl)-2-methoxyethanone
InChI:
InChI=1S/C8H16N2O2/c1-12-7-8(11)10-5-2-3-9-4-6-10/h9H,2-7H2,1H3
InChI Key:
NGNVBDAUGUSKDQ-UHFFFAOYSA-N
SMILES:
COCC(=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:
-0.7  

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