Home Other Building Blocks 4-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}aniline hydrochloride

4-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}aniline hydrochloride

CAS No.:
1461707-36-7
Catalog Number:
AG01ABTA
Molecular Formula:
C12H16ClN3O
Molecular Weight:
253.7279
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ABTA
Chemical Name:
4-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}aniline hydrochloride
CAS Number:
1461707-36-7
Molecular Formula:
C12H16ClN3O
Molecular Weight:
253.7279
MDL Number:
MFCD26407729
IUPAC Name:
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline;hydrochloride
InChI:
InChI=1S/C12H15N3O.ClH/c1-8(2)12-14-11(16-15-12)7-9-3-5-10(13)6-4-9;/h3-6,8H,7,13H2,1-2H3;1H
InChI Key:
QBUZDRIAYHIGJN-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1onc(n1)C(C)C.Cl
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.73g/mol
Monoisotopic Mass:
253.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties