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1373029-26-5 | 4-Isoxazolemethanamine, 3-methyl-, hydrochloride (1:1)
CAS No: 1373029-26-5 Catalog No: AG001328 MDL No:MFCD23378440
Product Description
Catalog Number:
AG001328
Chemical Name:
4-Isoxazolemethanamine, 3-methyl-, hydrochloride (1:1)
CAS Number:
1373029-26-5
Molecular Formula:
C5H9ClN2O
Molecular Weight:
148.5908
MDL Number:
MFCD23378440
IUPAC Name:
(3-methyl-1,2-oxazol-4-yl)methanamine;hydrochloride
InChI:
InChI=1S/C5H8N2O.ClH/c1-4-5(2-6)3-8-7-4;/h3H,2,6H2,1H3;1H
InChI Key:
XARZHXFCWAQESD-UHFFFAOYSA-N
SMILES:
Cc1nocc1CN.Cl
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.04g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.59g/mol
Monoisotopic Mass:
148.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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