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189620-91-5 | 1H-1,4-Diazepine, 3-ethyl-2,3,6,7-tetrahydro-5,7,7-trimethyl-
CAS No: 189620-91-5 Catalog No: AG002DSM MDL No:
Product Description
Catalog Number:
AG002DSM
Chemical Name:
1H-1,4-Diazepine, 3-ethyl-2,3,6,7-tetrahydro-5,7,7-trimethyl-
CAS Number:
189620-91-5
Molecular Formula:
C10H20N2
Molecular Weight:
168.2792
IUPAC Name:
3-ethyl-5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine
InChI:
InChI=1S/C10H20N2/c1-5-9-7-11-10(3,4)6-8(2)12-9/h9,11H,5-7H2,1-4H3
InChI Key:
POXRHKYJARGACQ-UHFFFAOYSA-N
SMILES:
CCC1CNC(CC(=N1)C)(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.163g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.284g/mol
Monoisotopic Mass:
168.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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