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1509-60-0 | 1,2-Benzenediol, 3,5-bis[(dimethylamino)methyl]-
CAS No: 1509-60-0 Catalog No: AG001MXZ MDL No:
Product Description
Catalog Number:
AG001MXZ
Chemical Name:
1,2-Benzenediol, 3,5-bis[(dimethylamino)methyl]-
CAS Number:
1509-60-0
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
IUPAC Name:
3,5-bis[(dimethylamino)methyl]benzene-1,2-diol
InChI:
InChI=1S/C12H20N2O2/c1-13(2)7-9-5-10(8-14(3)4)12(16)11(15)6-9/h5-6,15-16H,7-8H2,1-4H3
InChI Key:
GRBCQHDFWCSCPX-UHFFFAOYSA-N
SMILES:
CN(Cc1cc(CN(C)C)c(c(c1)O)O)C
NSC Number:
39225
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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