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119548-50-4 | Benzenemethanamine, N-2-propen-1-yl-N-2-propyn-1-yl-
CAS No: 119548-50-4 Catalog No: AG000IXM MDL No:
Product Description
Catalog Number:
AG000IXM
Chemical Name:
Benzenemethanamine, N-2-propen-1-yl-N-2-propyn-1-yl-
CAS Number:
119548-50-4
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
N-benzyl-N-prop-2-ynylprop-2-en-1-amine
InChI:
InChI=1S/C13H15N/c1-3-10-14(11-4-2)12-13-8-6-5-7-9-13/h1,4-9H,2,10-12H2
InChI Key:
UQINVDZFHLJFKR-UHFFFAOYSA-N
SMILES:
C=CCN(Cc1ccccc1)CC#C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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