Home Other Building Blocks 2-(pyrrolidin-3-yl)propane-1,3-diol hydrochloride

2-(pyrrolidin-3-yl)propane-1,3-diol hydrochloride

CAS No.:
1375474-16-0
Catalog Number:
AG019TH7
Molecular Formula:
C7H16ClNO2
Molecular Weight:
181.6604
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Product Description
Catalog Number:
AG019TH7
Chemical Name:
2-(pyrrolidin-3-yl)propane-1,3-diol hydrochloride
CAS Number:
1375474-16-0
Molecular Formula:
C7H16ClNO2
Molecular Weight:
181.6604
MDL Number:
MFCD21602629
IUPAC Name:
2-pyrrolidin-3-ylpropane-1,3-diol;hydrochloride
InChI:
InChI=1S/C7H15NO2.ClH/c9-4-7(5-10)6-1-2-8-3-6;/h6-10H,1-5H2;1H
InChI Key:
ZOVFFXDWKWUIKB-UHFFFAOYSA-N
SMILES:
OCC(C1CNCC1)CO.Cl
Properties
Complexity:
93.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.087g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
181.66g/mol
Monoisotopic Mass:
181.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties