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25941-41-7 | 1,3-Propanediol, 2-[(dimethylamino)methyl]-2-ethyl-
CAS No: 25941-41-7 Catalog No: AG002R5F MDL No:
Product Description
Catalog Number:
AG002R5F
Chemical Name:
1,3-Propanediol, 2-[(dimethylamino)methyl]-2-ethyl-
CAS Number:
25941-41-7
Molecular Formula:
C8H19NO2
Molecular Weight:
161.2420
IUPAC Name:
2-[(dimethylamino)methyl]-2-ethylpropane-1,3-diol
InChI:
InChI=1S/C8H19NO2/c1-4-8(6-10,7-11)5-9(2)3/h10-11H,4-7H2,1-3H3
InChI Key:
PBIHVCKVWPFHMN-UHFFFAOYSA-N
SMILES:
CCC(CN(C)C)(CO)CO
EC Number:
247-354-4
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.142g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.245g/mol
Monoisotopic Mass:
161.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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