1-(3-Bromopropyl)adamantane - CAS 474452-81-8

Name: 1-(3-Bromopropyl)adamantane
Brand: BOC Sciences
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Technical Data

IUPAC Name:	1-(3-bromopropyl)adamantane
Description:	1-(3-Bromopropyl)adamantane is a building block used in various synthetic preparations. It was used as a reactant in the synthesis of novel N-adamantylaza-crown ethers. Adamantanealkanamines are potential antidepressant and anti-Parkinson agents.
Molecular Weight:	257.21
Molecular Formula:	C13H21Br
Canonical SMILES:	C1C2CC3CC1CC(C2)(C3)CCCBr
InChI:	InChI=1S/C13H21Br/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9H2
InChI Key:	VNYJIRWIOLUVBU-UHFFFAOYSA-N
References:	Chakrabarti, J., et al. J. Med. Chem., 17, 602 (1974); Mlinaric-Majerski, K., et al. Tetrahedron, 58, 4893 (2002).

Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.08266
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.08266
Rotatable Bond Count:	3
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.2