exo-2-Aminonorbornane - CAS 7242-92-4

Catalog:	BB034620
Product Name:	exo-2-Aminonorbornane
CAS:	7242-92-4
Synonyms:	(1R,2R,4S)-bicyclo[2.2.1]heptan-2-amine

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Computed Properties

IUPAC Name:	(1R,2R,4S)-bicyclo[2.2.1]heptan-2-amine
Description:	exo-2-Aminonorbornane (CAS# 7242-92-4) is used in preparation of heterocyclic compounds as CDK kinase inhibitors for the treatment of cancer.
Molecular Weight:	111.18
Molecular Formula:	C7H13N
Canonical SMILES:	C1CC2CC1CC2N
InChI:	InChI=1S/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2/t5-,6+,7+/m0/s1
InChI Key:	JEPPYVOSGKWVSJ-RRKCRQDMSA-N
Boiling Point:	49 ℃ (10 torr)
Density:	0.985 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00078132
LogP:	1.83400

Publication Number	Title	Priority Date
WO-2020076996-A1	Covalent targeting of e3 ligases	20181009
CN-113164495-A	Covalent targeting of E3 ligase	20181009
EP-3863642-A1	Covalent targeting of e3 ligases	20181009
CN-112105350-A	Inhibitors of integrin alpha 2 beta 1 and methods of use	20180313
JP-2019147741-A	Imidazolium salt and method for producing the same	20180226

PMID	Publication Date	Title	Journal
21528964	20110428	Discriminating the structure of exo-2-aminonorbornane using nuclear quadrupole coupling interactions	The Journal of chemical physics

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Related Functional Groups

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	111.104799419
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	111.104799419
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1