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Home > Imidazoles > 1422141-30-7
1422141-30-7 | 6-(pyridin-3-ylmethoxymethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
CAS No: 1422141-30-7 Catalog No: AG01DHX7 MDL No:
Product Description
Catalog Number:
AG01DHX7
Chemical Name:
6-(pyridin-3-ylmethoxymethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
CAS Number:
1422141-30-7
Molecular Formula:
C14H18N4O
Molecular Weight:
258.3189
IUPAC Name:
6-(pyridin-3-ylmethoxymethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
InChI:
InChI=1S/C14H18N4O/c1-2-12(6-15-3-1)10-19-11-13-7-16-8-14-17-4-5-18(14)9-13/h1-6,13,16H,7-11H2
InChI Key:
MLLWBXZUICHFIT-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)COCC1CNCc2n(C1)ccn2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.148g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.325g/mol
Monoisotopic Mass:
258.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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