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Home > Imidazoles > 54534-92-8
54534-92-8 | 4-(1H-IMIDAZOL-2-YLMETHYL)-MORPHOLINE
CAS No: 54534-92-8 Catalog No: AG00DFOA MDL No:MFCD08669033
Product Description
Catalog Number:
AG00DFOA
Chemical Name:
4-(1H-IMIDAZOL-2-YLMETHYL)-MORPHOLINE
CAS Number:
54534-92-8
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD08669033
IUPAC Name:
4-(1H-imidazol-2-ylmethyl)morpholine
InChI:
InChI=1S/C8H13N3O/c1-2-10-8(9-1)7-11-3-5-12-6-4-11/h1-2H,3-7H2,(H,9,10)
InChI Key:
AKCDXDJPRPTLCF-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)Cc1ncc[nH]1
NSC Number:
116534
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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