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13317-96-9 | 1,2-Propanediol, 3-[bis(2-hydroxyethyl)amino]-
CAS No: 13317-96-9 Catalog No: AG0014DS MDL No:
Product Description
Catalog Number:
AG0014DS
Chemical Name:
1,2-Propanediol, 3-[bis(2-hydroxyethyl)amino]-
CAS Number:
13317-96-9
Molecular Formula:
C7H17NO4
Molecular Weight:
179.2142
IUPAC Name:
3-[bis(2-hydroxyethyl)amino]propane-1,2-diol
InChI:
InChI=1S/C7H17NO4/c9-3-1-8(2-4-10)5-7(12)6-11/h7,9-12H,1-6H2
InChI Key:
KDISOQKLYCBGFY-UHFFFAOYSA-N
SMILES:
OCCN(CC(CO)O)CCO
Properties
Complexity:
95.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.116g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
179.216g/mol
Monoisotopic Mass:
179.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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