Home Other Building Blocks 4-[4-(3-Nitrophenyl)-1h-1,2,3-triazol-1-yl]butan-1-amine

4-[4-(3-Nitrophenyl)-1h-1,2,3-triazol-1-yl]butan-1-amine

CAS No.:
1626413-51-1
Catalog Number:
AG001T9U
Molecular Formula:
C12H15N5O2
Molecular Weight:
261.2798
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$730
- +
Product Description
Catalog Number:
AG001T9U
Chemical Name:
4-[4-(3-Nitrophenyl)-1h-1,2,3-triazol-1-yl]butan-1-amine
CAS Number:
1626413-51-1
Molecular Formula:
C12H15N5O2
Molecular Weight:
261.2798
MDL Number:
MFCD28502704
IUPAC Name:
4-[4-(3-nitrophenyl)triazol-1-yl]butan-1-amine
InChI:
InChI=1S/C12H15N5O2/c13-6-1-2-7-16-9-12(14-15-16)10-4-3-5-11(8-10)17(18)19/h3-5,8-9H,1-2,6-7,13H2
InChI Key:
VUZNHJRCHGAGEQ-UHFFFAOYSA-N
SMILES:
NCCCCn1nnc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.123g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.285g/mol
Monoisotopic Mass:
261.123g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties