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158044-34-9 | Allyl-but-2-ynyl-amine
CAS No: 158044-34-9 Catalog No: AG01FFK5 MDL No:
Product Description
Catalog Number:
AG01FFK5
Chemical Name:
Allyl-but-2-ynyl-amine
CAS Number:
158044-34-9
Molecular Formula:
C7H11N
Molecular Weight:
109.1689
IUPAC Name:
N-prop-2-enylbut-2-yn-1-amine
InChI:
InChI=1S/C7H11N/c1-3-5-7-8-6-4-2/h4,8H,2,6-7H2,1H3
InChI Key:
LIIACOIRPHMPON-UHFFFAOYSA-N
SMILES:
CC#CCNCC=C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
109.172g/mol
Monoisotopic Mass:
109.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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