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Home > Thiazole > 1094643-90-9
1094643-90-9 | 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
CAS No: 1094643-90-9 Catalog No: AG01ABB9 MDL No:MFCD11211707
Product Description
Catalog Number:
AG01ABB9
Chemical Name:
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
CAS Number:
1094643-90-9
Molecular Formula:
C11H19N3S
Molecular Weight:
225.3537
MDL Number:
MFCD11211707
IUPAC Name:
4-(1,4-diazepan-1-ylmethyl)-2-ethyl-1,3-thiazole
InChI:
InChI=1S/C11H19N3S/c1-2-11-13-10(9-15-11)8-14-6-3-4-12-5-7-14/h9,12H,2-8H2,1H3
InChI Key:
LQTZNJXBZGPXRF-UHFFFAOYSA-N
SMILES:
CCc1scc(n1)CN1CCNCCC1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.13g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.354g/mol
Monoisotopic Mass:
225.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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