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1220038-18-5 | Pyrrolidine, 3-[[(4-methoxyphenyl)methoxy]methyl]-, hydrochloride (1:1)
CAS No: 1220038-18-5 Catalog No: AG0016LB MDL No:MFCD13560697
Product Description
Catalog Number:
AG0016LB
Chemical Name:
Pyrrolidine, 3-[[(4-methoxyphenyl)methoxy]methyl]-, hydrochloride (1:1)
CAS Number:
1220038-18-5
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
MDL Number:
MFCD13560697
IUPAC Name:
3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-15-13-4-2-11(3-5-13)9-16-10-12-6-7-14-8-12;/h2-5,12,14H,6-10H2,1H3;1H
InChI Key:
NFYMWDHRXHYTKO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COCC1CNCC1.Cl
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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