Home Other Building Blocks (4-ETHYLBENZYL)ISOBUTYLAMINE

(4-ETHYLBENZYL)ISOBUTYLAMINE

CAS No.:
869942-55-2
Catalog Number:
AG004KEF
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
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Product Description
Catalog Number:
AG004KEF
Chemical Name:
(4-ETHYLBENZYL)ISOBUTYLAMINE
CAS Number:
869942-55-2
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
MDL Number:
MFCD04526549
IUPAC Name:
N-[(4-ethylphenyl)methyl]-2-methylpropan-1-amine
InChI:
InChI=1S/C13H21N/c1-4-12-5-7-13(8-6-12)10-14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChI Key:
CRVLROUGAOPIIK-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)CNCC(C)C
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.167g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.318g/mol
Monoisotopic Mass:
191.167g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties