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1260616-30-5 | Benzenemethanamine, N-5-hexen-1-yl-α-methyl-, (αS)-
CAS No: 1260616-30-5 Catalog No: AG000QVY MDL No:
Product Description
Catalog Number:
AG000QVY
Chemical Name:
Benzenemethanamine, N-5-hexen-1-yl-α-methyl-, (αS)-
CAS Number:
1260616-30-5
Molecular Formula:
C14H21N
Molecular Weight:
203.3232
IUPAC Name:
N-[(1S)-1-phenylethyl]hex-5-en-1-amine
InChI:
InChI=1S/C14H21N/c1-3-4-5-9-12-15-13(2)14-10-7-6-8-11-14/h3,6-8,10-11,13,15H,1,4-5,9,12H2,2H3/t13-/m0/s1
InChI Key:
UMUQFFFTUZWKQI-ZDUSSCGKSA-N
SMILES:
C=CCCCCN[C@H](c1ccccc1)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.329g/mol
Monoisotopic Mass:
203.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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