Home Amines 111831-93-7
111831-93-7,MFCD00995890
Catalog No.:AA01C2PO
111831-93-7 | N-(but-2-yn-1-yl)cyclohexanamine
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$374.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01C2PO
Chemical Name:
N-(but-2-yn-1-yl)cyclohexanamine
CAS Number:
111831-93-7
Molecular Formula:
C10H17N
Molecular Weight:
151.2487
MDL Number:
MFCD00995890
IUPAC Name:
N-but-2-ynylcyclohexanamine
InChI:
InChI=1S/C10H17N/c1-2-3-9-11-10-7-5-4-6-8-10/h10-11H,4-9H2,1H3
InChI Key:
AMTIWUUGQBIURS-UHFFFAOYSA-N
SMILES:
CC#CCNC1CCCCC1
Properties
Computed Properties
 
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.136g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.253g/mol
Monoisotopic Mass:
151.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
But-2-ynyl-cyclohexyl-amine 
N-(but-2-yn-1-yl)cyclohexanamine 
AKOS000301161 
MCULE-9570782770 
TR-040901 
ST50226366 
CID3103789 
111831-93-7 
AC1MIYQO 
BAS 00386361 
but-2-ynylcyclohexylamine 
N-but-2-ynylcyclohexanamine 
SCHEMBL18920437 
HMS1704G02 
ZINC2571628 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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