Home Amines 113439-90-0
113439-90-0,MFCD19204088
Catalog No.:AA0008IM
113439-90-0 | 4,4-Dimethyl-2-pentyn-1-amine
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250mg
95%
1 week  
$431.00   $302.00
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Technical Information
Catalog Number:
AA0008IM
Chemical Name:
4,4-Dimethyl-2-pentyn-1-amine
CAS Number:
113439-90-0
Molecular Formula:
C7H13N
Molecular Weight:
111.1848
MDL Number:
MFCD19204088
IUPAC Name:
4,4-dimethylpent-2-yn-1-amine
InChI:
InChI=1S/C7H13N/c1-7(2,3)5-4-6-8/h6,8H2,1-3H3
InChI Key:
KZIPPJINJOKJRI-UHFFFAOYSA-N
SMILES:
NCC#CC(C)(C)C
Properties
Computed Properties
 
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.105g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
111.188g/mol
Monoisotopic Mass:
111.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
4,4-Dimethyl-2-pentyn-1-amine 
113439-90-0 
TRA0039596 
AS-32064 
SY023792 
AJ-133707 
MFCD19204088 (95%) 
Z-3457 
C7H13N 
691904-77-5 
4,4-Dimethylpent-2-yn-1-amine 
2-Pentyn-1-amine, 4,4-dimethyl- 
SCHEMBL2941366 
KS-000009JH 
6027AJ 
MFCD19204088 
ZINC95725455 
AKOS006338908 
Literature
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