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19947-75-2 | 5-Isoxazolamine, 3,4-dimethyl-
CAS No: 19947-75-2 Catalog No: AG002C50 MDL No:MFCD00046081
Product Description
Catalog Number:
AG002C50
Chemical Name:
5-Isoxazolamine, 3,4-dimethyl-
CAS Number:
19947-75-2
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD00046081
IUPAC Name:
3,4-dimethyl-1,2-oxazol-5-amine
InChI:
InChI=1S/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3
InChI Key:
PYNDWPFZDQONDV-UHFFFAOYSA-N
SMILES:
Cc1noc(c1C)N
EC Number:
243-437-4
NSC Number:
143787
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| N-[(E)-Anthracen-9-yl-methyl-idene]-3,4-dimethyl-1,2-oxazol-5-amine. | Acta crystallographica. Section E, Structure reports online 20111201 |
| N-[(E)-1,3-Benzodioxol-5-yl-methyl-idene]-3,4-dimethyl-1,2-oxazol-5-amine. | Acta crystallographica. Section E, Structure reports online 20110901 |
| 3,4-Dimethyl-N-[(E)-3-nitro-benzyl-idene]-1,2-oxazol-5-amine. | Acta crystallographica. Section E, Structure reports online 20101001 |
| 3,4-Dimethyl-N-(2,4,5-trimeth-oxy-benzyl-idene)-1,2-isoxazol-5-amine. | Acta crystallographica. Section E, Structure reports online 20100801 |
| N-(4-Bromo-benzyl-idene)-3,4-dimethyl-isoxazol-5-amine. | Acta crystallographica. Section E, Structure reports online 20100801 |
| N-(4-Chloro-benzyl-idene)-3,4-dimethyl-isoxazol-5-amine. | Acta crystallographica. Section E, Structure reports online 20100801 |
| N-[4-(Dimethyl-amino)-benzyl-idene]-3,4-dimethyl-isoxazol-5-amine. | Acta crystallographica. Section E, Structure reports online 20100701 |
| 1-[(E)-(3,4-Dimethyl-isoxazol-5-yl)imino-meth-yl]-2-naphthol. | Acta crystallographica. Section E, Structure reports online 20100501 |
| 2-[(E)-(3,4-Dimethyl-isoxazol-5-yl)imino-meth-yl]phenol. | Acta crystallographica. Section E, Structure reports online 20100401 |
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