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125162-81-4 | 1,3-Propanediol, 2-(4-aminobutyl)-
CAS No: 125162-81-4 Catalog No: AG000NA1 MDL No:
Product Description
Catalog Number:
AG000NA1
Chemical Name:
1,3-Propanediol, 2-(4-aminobutyl)-
CAS Number:
125162-81-4
Molecular Formula:
C7H17NO2
Molecular Weight:
147.2154
IUPAC Name:
2-(4-aminobutyl)propane-1,3-diol
InChI:
InChI=1S/C7H17NO2/c8-4-2-1-3-7(5-9)6-10/h7,9-10H,1-6,8H2
InChI Key:
KUZCSLNRDJKKMK-UHFFFAOYSA-N
SMILES:
NCCCCC(CO)CO
Properties
Complexity:
64.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.126g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
147.218g/mol
Monoisotopic Mass:
147.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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