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Home > Aldehydes > 919109-49-2
919109-49-2 | Benzaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-3-(1-piperazinylmethyl)-
CAS No: 919109-49-2 Catalog No: AG006L3T MDL No:
Product Description
Catalog Number:
AG006L3T
Chemical Name:
Benzaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-3-(1-piperazinylmethyl)-
CAS Number:
919109-49-2
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
IUPAC Name:
5-tert-butyl-2-hydroxy-3-(piperazin-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C16H24N2O2/c1-16(2,3)14-8-12(15(20)13(9-14)11-19)10-18-6-4-17-5-7-18/h8-9,11,17,20H,4-7,10H2,1-3H3
InChI Key:
FTWVZAOQPDWNEC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)CN1CCNCC1)C(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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