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20849-96-1 | 1-Butanamine, N-(3-phenyl-2-propen-1-yl)-
CAS No: 20849-96-1 Catalog No: AG002JQH MDL No:
Product Description
Catalog Number:
AG002JQH
Chemical Name:
1-Butanamine, N-(3-phenyl-2-propen-1-yl)-
CAS Number:
20849-96-1
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
N-(3-phenylprop-2-enyl)butan-1-amine
InChI:
InChI=1S/C13H19N/c1-2-3-11-14-12-7-10-13-8-5-4-6-9-13/h4-10,14H,2-3,11-12H2,1H3
InChI Key:
AZZYKBHEGUJORL-UHFFFAOYSA-N
SMILES:
CCCCNCC=Cc1ccccc1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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