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6457-49-4 | 4-Piperidinemethanol
CAS No: 6457-49-4 Catalog No: AG003LZR MDL No:MFCD00174228
Product Description
Catalog Number:
AG003LZR
Chemical Name:
4-Piperidinemethanol
CAS Number:
6457-49-4
Molecular Formula:
C6H13NO
Molecular Weight:
115.1735
MDL Number:
MFCD00174228
IUPAC Name:
piperidin-4-ylmethanol
InChI:
InChI=1S/C6H13NO/c8-5-6-1-3-7-4-2-6/h6-8H,1-5H2
InChI Key:
XBXHCBLBYQEYTI-UHFFFAOYSA-N
SMILES:
OCC1CCNCC1
EC Number:
613-624-9
Properties
Complexity:
59.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
115.176g/mol
Monoisotopic Mass:
115.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Toward rational design of amine solutions for PCC applications: the kinetics of the reaction of CO2(aq) with cyclic and secondary amines in aqueous solution. | Environmental science & technology 20120703 |
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