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100543-12-2 | 1,3-Propanediol, 2-(hydroxymethyl)-2-(octylamino)-
CAS No: 100543-12-2 Catalog No: AG0002A6 MDL No:
Product Description
Catalog Number:
AG0002A6
Chemical Name:
1,3-Propanediol, 2-(hydroxymethyl)-2-(octylamino)-
CAS Number:
100543-12-2
Molecular Formula:
C12H27NO3
Molecular Weight:
233.3477
IUPAC Name:
2-(hydroxymethyl)-2-(octylamino)propane-1,3-diol
InChI:
InChI=1S/C12H27NO3/c1-2-3-4-5-6-7-8-13-12(9-14,10-15)11-16/h13-16H,2-11H2,1H3
InChI Key:
AFJDKYQZVDGXBX-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(CO)(CO)CO
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.199g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
233.352g/mol
Monoisotopic Mass:
233.199g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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