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125131-66-0 | 3-Pyrrolidinemethanol, 1-octadecyl-, hydrochloride (1:1)
CAS No: 125131-66-0 Catalog No: AG000N8T MDL No:
Product Description
Catalog Number:
AG000N8T
Chemical Name:
3-Pyrrolidinemethanol, 1-octadecyl-, hydrochloride (1:1)
CAS Number:
125131-66-0
Molecular Formula:
C23H48ClNO
Molecular Weight:
390.0863
IUPAC Name:
(1-octadecylpyrrolidin-3-yl)methanol
InChI:
InChI=1S/C23H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-20-18-23(21-24)22-25/h23,25H,2-22H2,1H3
InChI Key:
RTWFLDGWBUXQMI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN1CCC(C1)CO.Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.366g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.635g/mol
Monoisotopic Mass:
353.366g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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