Home Other Building Blocks 1-benzyl-3-ethynylpyrrolidine

1-benzyl-3-ethynylpyrrolidine

CAS No.:
1379029-24-9
Catalog Number:
AG01AL6Z
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
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Product Description
Catalog Number:
AG01AL6Z
Chemical Name:
1-benzyl-3-ethynylpyrrolidine
CAS Number:
1379029-24-9
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
MDL Number:
MFCD18911002
IUPAC Name:
1-benzyl-3-ethynylpyrrolidine
InChI:
InChI=1S/C13H15N/c1-2-12-8-9-14(10-12)11-13-6-4-3-5-7-13/h1,3-7,12H,8-11H2
InChI Key:
KLZFBGALELQEMD-UHFFFAOYSA-N
SMILES:
C#CC1CCN(C1)Cc1ccccc1
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties