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Home Other Building Blocks [1-(3-fluorophenyl)propan-2-yl](prop-2-yn-1-yl)amine

[1-(3-fluorophenyl)propan-2-yl](prop-2-yn-1-yl)amine

CAS No.:
1602159-23-8
Catalog Number:
AG01DVRD
Molecular Formula:
C12H14FN
Molecular Weight:
191.2447
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Product Description
Catalog Number:
AG01DVRD
Chemical Name:
[1-(3-fluorophenyl)propan-2-yl](prop-2-yn-1-yl)amine
CAS Number:
1602159-23-8
Molecular Formula:
C12H14FN
Molecular Weight:
191.2447
MDL Number:
MFCD31690393
IUPAC Name:
1-(3-fluorophenyl)-N-prop-2-ynylpropan-2-amine
InChI:
InChI=1S/C12H14FN/c1-3-7-14-10(2)8-11-5-4-6-12(13)9-11/h1,4-6,9-10,14H,7-8H2,2H3
InChI Key:
HTVHCYKHCPBVPN-UHFFFAOYSA-N
SMILES:
C#CCNC(Cc1cccc(c1)F)C
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.249g/mol
Monoisotopic Mass:
191.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties