Home Other Building Blocks 2-{[2-(hydroxymethyl)pyrrolidin-1-yl]methyl}cycloheptan-1-one hydrochloride

2-{[2-(hydroxymethyl)pyrrolidin-1-yl]methyl}cycloheptan-1-one hydrochloride

CAS No.:
1909317-24-3
Catalog Number:
AG01C1W7
Molecular Formula:
C13H24ClNO2
Molecular Weight:
261.7882
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Product Description
Catalog Number:
AG01C1W7
Chemical Name:
2-{[2-(hydroxymethyl)pyrrolidin-1-yl]methyl}cycloheptan-1-one hydrochloride
CAS Number:
1909317-24-3
Molecular Formula:
C13H24ClNO2
Molecular Weight:
261.7882
MDL Number:
MFCD29047474
IUPAC Name:
2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-one;hydrochloride
InChI:
InChI=1S/C13H23NO2.ClH/c15-10-12-6-4-8-14(12)9-11-5-2-1-3-7-13(11)16;/h11-12,15H,1-10H2;1H
InChI Key:
PEBXWBVRFNYYKU-UHFFFAOYSA-N
SMILES:
OCC1CCCN1CC1CCCCCC1=O.Cl
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.15g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
261.79g/mol
Monoisotopic Mass:
261.15g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties