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4-(2-Aminoethyl)-4-azatricyclo[5.2.1.0,2,6]dec-8-ene-3,5-dione

4-(2-Aminoethyl)-4-azatricyclo[5.2.1.0,2,6]dec-8-ene-3,5-dione - CAS 1249934-50-6

Name: 4-(2-Aminoethyl)-4-azatricyclo[5.2.1.0,2,6]dec-8-ene-3,5-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB075097
Product Name:	4-(2-Aminoethyl)-4-azatricyclo[5.2.1.0,2,6]dec-8-ene-3,5-dione
CAS:	1249934-50-6
Synonyms:	4-(2-aminoethyl)-4-azatricyclo[5.2.1.0,2,6]dec-8-ene-3,5-dione; 4-(2-aminoethyl)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione; 4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Technical Data

Computed Properties

IUPAC Name:	4-(2-aminoethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Molecular Weight:	206.24
Molecular Formula:	C11H14N2O2
Canonical SMILES:	C1C2C=CC1C3C2C(=O)N(C3=O)CCN
InChI:	InChI=1S/C11H14N2O2/c12-3-4-13-10(14)8-6-1-2-7(5-6)9(8)11(13)15/h1-2,6-9H,3-5,12H2
InChI Key:	KJJNUYCTHDHWHV-UHFFFAOYSA-N

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Related Functional Groups

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Complexity:	334
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.105527694
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.105527694
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.4Å²
Undefined Atom Stereocenter Count:	4
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7