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61903-11-5 | 1-(1,4-Diazepan-1-yl)ethanone
CAS No: 61903-11-5 Catalog No: AG003SOZ MDL No:MFCD00674492
Product Description
Catalog Number:
AG003SOZ
Chemical Name:
1-(1,4-Diazepan-1-yl)ethanone
CAS Number:
61903-11-5
Molecular Formula:
C7H14N2O
Molecular Weight:
142.1989
MDL Number:
MFCD00674492
IUPAC Name:
1-(1,4-diazepan-1-yl)ethanone
InChI:
InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3
InChI Key:
TWJPZMYNUBAUGA-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCNCCC1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.202g/mol
Monoisotopic Mass:
142.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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