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Pyrrolidin-2-ylmethanamine

CAS No.:
57734-57-3
Catalog Number:
AG003BNZ
Molecular Formula:
C5H12N2
Molecular Weight:
100.1622
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Product Description
Catalog Number:
AG003BNZ
Chemical Name:
Pyrrolidin-2-ylmethanamine
CAS Number:
57734-57-3
Molecular Formula:
C5H12N2
Molecular Weight:
100.1622
MDL Number:
MFCD00462218
IUPAC Name:
pyrrolidin-2-ylmethanamine
InChI:
InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2
InChI Key:
AUKXFNABVHIUAC-UHFFFAOYSA-N
SMILES:
NCC1CCCN1
Properties
Complexity:
54  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.1g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
100.165g/mol
Monoisotopic Mass:
100.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
Synthesis, characterisation and in vitro cytotoxicity studies of a series of chiral platinum(II) complexes based on the 2-aminomethylpyrrolidine ligand: X-ray crystal structure of [PtCl2(R-dimepyrr)] (R-dimepyrr=N-dimethyl-2(R)-aminomethylpyrrolidine). European journal of medicinal chemistry 20090701
Novel diamino derivatives of [1,2,4]triazolo[1,5-a][1,3,5]triazine as potent and selective adenosine A2a receptor antagonists. Journal of medicinal chemistry 20050324
Studies on adenosine A2a receptor antagonists: comparison of three core heterocycles. Bioorganic & medicinal chemistry letters 20041004
Structures of platinum(II) complexes of 2-aminomethylaziridine and S-2-aminomethylazetidine and correlation of anticancer activities of (2-aminomethylazacycloalkane)platinum(II) complexes with the geometry of the chelate rings formed with platinum(II). Chemical & pharmaceutical bulletin 20040101
Conformation of 2-aminomethylpyrrolidine and 2-aminomethylpiperidine in ternary platinum(II) complexes: regulation of conformation of the diamine by the coexisting ligand. Chemical & pharmaceutical bulletin 20031001
Synthesis and D(2)-like binding affinity of new derivatives of N-(1-ethyl-2-pyrrolidinylmethyl)-4,5-dihydro-1H-benzo[g]indole-3-carboxamide and related 4H-[1]benzothiopyrano[4,3-b]pyrrole and 5,6-dihydro-4H-benzo[6,7]cyclohepta[b]pyrrole-3-carboxamide analogues. Bioorganic & medicinal chemistry 20020801
Properties