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1458615-99-0

1458615-99-0 | 1-[4-(butan-2-yl)phenyl]ethan-1-amine hydrochloride

CAS No: 1458615-99-0 Catalog No: AG01FJ5A MDL No:

Product Description

Catalog Number:
AG01FJ5A
Chemical Name:
1-[4-(butan-2-yl)phenyl]ethan-1-amine hydrochloride
CAS Number:
1458615-99-0
Molecular Formula:
C12H20ClN
Molecular Weight:
213.7469
IUPAC Name:
1-(4-butan-2-ylphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C12H19N.ClH/c1-4-9(2)11-5-7-12(8-6-11)10(3)13;/h5-10H,4,13H2,1-3H3;1H
InChI Key:
VVYWUCDSFLRMHG-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)C(N)C)C.Cl

Properties

Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.128g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.749g/mol
Monoisotopic Mass:
213.128g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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