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100860-90-0 | 2,4,6-Cycloheptatriene-1-ethanamine
CAS No: 100860-90-0 Catalog No: AG000326 MDL No:
Product Description
Catalog Number:
AG000326
Chemical Name:
2,4,6-Cycloheptatriene-1-ethanamine
CAS Number:
100860-90-0
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
IUPAC Name:
2-cyclohepta-2,4,6-trien-1-ylethanamine
InChI:
InChI=1S/C9H13N/c10-8-7-9-5-3-1-2-4-6-9/h1-6,9H,7-8,10H2
InChI Key:
ZMBUPYIGIKMHGB-UHFFFAOYSA-N
SMILES:
NCCC1C=CC=CC=C1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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