Home Amines 1017417-47-8
1017417-47-8,MFCD10003769
Catalog No.:AA0005A7
1017417-47-8 | 3-Pyrrolidinemethanamine, 1-[(2-methylphenyl)methyl]-
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1g
95%
in stock  
$74.00   $52.00
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5g
95%
in stock  
$212.00   $148.00
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Technical Information
Catalog Number:
AA0005A7
Chemical Name:
3-Pyrrolidinemethanamine, 1-[(2-methylphenyl)methyl]-
CAS Number:
1017417-47-8
Molecular Formula:
C13H20N2
Molecular Weight:
204.3113
MDL Number:
MFCD10003769
IUPAC Name:
[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
InChI:
InChI=1S/C13H20N2/c1-11-4-2-3-5-13(11)10-15-7-6-12(8-14)9-15/h2-5,12H,6-10,14H2,1H3
InChI Key:
UPZHRTDWMNFMBY-UHFFFAOYSA-N
SMILES:
NCC1CCN(C1)Cc1ccccc1C
Properties
Computed Properties
 
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.163g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.317g/mol
Monoisotopic Mass:
204.163g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
1017417-47-8 
1-[1-(2-METHYLBENZYL)-3-PYRROLIDINYL]METHANAMINE 
1-{1-[(2-Methylphenyl)methyl]pyrrolidin-3-yl}methanamine 
(1-(2-Methylbenzyl)pyrrolidin-3-yl)methanamine 
CTK4A0182 
DTXSID90640636 
MFCD10003769 
AKOS010126897 
Y-6272 
3-Pyrrolidinemethanamine, 1-[(2-methylphenyl)methyl]- 
[1-(2-Methylbenzyl)-3-pyrrolidinyl]methanamine, AldrichCPR 
Literature
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