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1111096-05-9 | 4-(2-(1H-Pyrazol-1-yl)ethyl)morpholine
CAS No: 1111096-05-9 Catalog No: AG003CVD MDL No:MFCD12405513
Product Description
Catalog Number:
AG003CVD
Chemical Name:
4-(2-(1H-Pyrazol-1-yl)ethyl)morpholine
CAS Number:
1111096-05-9
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
MDL Number:
MFCD12405513
IUPAC Name:
4-(2-pyrazol-1-ylethyl)morpholine
InChI:
InChI=1S/C9H15N3O/c1-2-10-12(3-1)5-4-11-6-8-13-9-7-11/h1-3H,4-9H2
InChI Key:
ARTZLKMWNRZIIH-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)CCn1cccn1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.239g/mol
Monoisotopic Mass:
181.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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