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84540-70-5 | 1,2-Propanediol,3-[[3-(dimethylamino)propyl]amino]-
CAS No: 84540-70-5 Catalog No: AG004VHF MDL No:
Product Description
Catalog Number:
AG004VHF
Chemical Name:
1,2-Propanediol,3-[[3-(dimethylamino)propyl]amino]-
CAS Number:
84540-70-5
Molecular Formula:
C8H20N2O2
Molecular Weight:
176.2566
IUPAC Name:
3-[3-(dimethylamino)propylamino]propane-1,2-diol
InChI:
InChI=1S/C8H20N2O2/c1-10(2)5-3-4-9-6-8(12)7-11/h8-9,11-12H,3-7H2,1-2H3
InChI Key:
RXFQHLJNQDJBEG-UHFFFAOYSA-N
SMILES:
OCC(CNCCCN(C)C)O
EC Number:
283-165-3
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.152g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.26g/mol
Monoisotopic Mass:
176.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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