Home Other Building Blocks (1S)-1-(adamantan-1-yl)ethan-1-amine

(1S)-1-(adamantan-1-yl)ethan-1-amine

CAS No.:
887336-06-3
Catalog Number:
AG019R80
Molecular Formula:
C12H21N
Molecular Weight:
179.3018
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Product Description
Catalog Number:
AG019R80
Chemical Name:
(1S)-1-(adamantan-1-yl)ethan-1-amine
CAS Number:
887336-06-3
Molecular Formula:
C12H21N
Molecular Weight:
179.3018
MDL Number:
MFCD14705942
IUPAC Name:
(1S)-1-(1-adamantyl)ethanamine
InChI:
InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9?,10?,11?,12?/m0/s1
InChI Key:
UBCHPRBFMUDMNC-JKJWBTBISA-N
SMILES:
C[C@@H](C12CC3CC(C2)CC(C1)C3)N
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
179.167g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.307g/mol
Monoisotopic Mass:
179.167g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties