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122018-86-4 | 5-Isoxazolepropanamine
CAS No: 122018-86-4 Catalog No: AG0016MG MDL No:
Product Description
Catalog Number:
AG0016MG
Chemical Name:
5-Isoxazolepropanamine
CAS Number:
122018-86-4
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
IUPAC Name:
3-(1,2-oxazol-5-yl)propan-1-amine
InChI:
InChI=1S/C6H10N2O/c7-4-1-2-6-3-5-8-9-6/h3,5H,1-2,4,7H2
InChI Key:
LDEFHFXOOAGLDY-UHFFFAOYSA-N
SMILES:
NCCCc1ccno1
Properties
Complexity:
77.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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