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125907-93-9

125907-93-9 | 1,3-Propanediol, 2,2',2''-nitrilotris[2-(hydroxymethyl)- (9CI)

CAS No: 125907-93-9 Catalog No: AG000OYO MDL No:

Product Description

Catalog Number:
AG000OYO
Chemical Name:
1,3-Propanediol, 2,2',2''-nitrilotris[2-(hydroxymethyl)- (9CI)
CAS Number:
125907-93-9
Molecular Formula:
C12H27NO9
Molecular Weight:
329.3441
IUPAC Name:
2-[bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
InChI:
InChI=1S/C12H27NO9/c14-1-10(2-15,3-16)13(11(4-17,5-18)6-19)12(7-20,8-21)9-22/h14-22H,1-9H2
InChI Key:
BQUWTHKUYAKIQX-UHFFFAOYSA-N
SMILES:
OCC(N(C(CO)(CO)CO)C(CO)(CO)CO)(CO)CO

Properties

Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.169g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
329.346g/mol
Monoisotopic Mass:
329.169g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.2  

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