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13790-75-5 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-piperazinylmethyl)-
CAS No: 13790-75-5 Catalog No: AG00143F MDL No:
Product Description
Catalog Number:
AG00143F
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-piperazinylmethyl)-
CAS Number:
13790-75-5
Molecular Formula:
C19H32N2O
Molecular Weight:
304.4702
IUPAC Name:
2,6-ditert-butyl-4-(piperazin-1-ylmethyl)phenol
InChI:
InChI=1S/C19H32N2O/c1-18(2,3)15-11-14(13-21-9-7-20-8-10-21)12-16(17(15)22)19(4,5)6/h11-12,20,22H,7-10,13H2,1-6H3
InChI Key:
NSHPHKYHPUUZGS-UHFFFAOYSA-N
SMILES:
CC(c1cc(CN2CCNCC2)cc(c1O)C(C)(C)C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.251g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.478g/mol
Monoisotopic Mass:
304.251g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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