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1247694-08-1 | 2-[(1-Methyl-piperidin-3-ylmethyl)-amino]-ethanol
CAS No: 1247694-08-1 Catalog No: AG01F97K MDL No:
Product Description
Catalog Number:
AG01F97K
Chemical Name:
2-[(1-Methyl-piperidin-3-ylmethyl)-amino]-ethanol
CAS Number:
1247694-08-1
Molecular Formula:
C9H20N2O
Molecular Weight:
172.2679
IUPAC Name:
2-[(1-methylpiperidin-3-yl)methylamino]ethanol
InChI:
InChI=1S/C9H20N2O/c1-11-5-2-3-9(8-11)7-10-4-6-12/h9-10,12H,2-8H2,1H3
InChI Key:
BCEHGQYRGVQSDB-UHFFFAOYSA-N
SMILES:
OCCNCC1CCCN(C1)C
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.158g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.272g/mol
Monoisotopic Mass:
172.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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