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1374408-39-5

1374408-39-5 | 3-(3-Benzyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride

CAS No: 1374408-39-5 Catalog No: AG01FMCW MDL No:MFCD22201584

Product Description

Catalog Number:
AG01FMCW
Chemical Name:
3-(3-Benzyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride
CAS Number:
1374408-39-5
Molecular Formula:
C12H16ClN3O
Molecular Weight:
253.7279
MDL Number:
MFCD22201584
IUPAC Name:
3-(3-benzyl-1,2,4-oxadiazol-5-yl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C12H15N3O.ClH/c13-8-4-7-12-14-11(15-16-12)9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9,13H2;1H
InChI Key:
ICHOMXBLFQEWCJ-UHFFFAOYSA-N
SMILES:
NCCCc1onc(n1)Cc1ccccc1.Cl

Properties

Complexity:
195  
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:
5  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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