5-Aminomethyl-dibenzosuberane - CAS 7351-49-7

Catalog:	BB034853
Product Name:	5-Aminomethyl-dibenzosuberane
CAS:	7351-49-7
Synonyms:	2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaenylmethanamine; 2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaenylmethanamine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethanamine
Description:	5-Aminomethyl-dibenzosuberane (CAS# 7351-49-7 ) is a useful research chemical.
Molecular Weight:	223.31
Molecular Formula:	C16H17N
Canonical SMILES:	C1CC2=CC=CC=C2C(C3=CC=CC=C31)CN
InChI:	InChI=1S/C16H17N/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-8,16H,9-11,17H2
InChI Key:	YJCNPACNIAQKNY-UHFFFAOYSA-N
LogP:	3.57610

Publication Number	Title	Priority Date
US-2011201598-A1	Pharmaceutical Compositions Comprising RET Inhibitors and Methods for the Treatment of Cancer	20080714
US-8629135-B2	Pharmaceutical compositions comprising RET inhibitors and methods for the treatment of cancer	20080714
WO-2010006432-A1	Pharmaceutical compositions comprising ret inhibitors and methods for the treatment of cancer	20080714
CA-2606538-A1	3 -m0n0- and 3 , 5-disubstituted piperidine derivatives as renin inhibitors	20050503
EP-1879882-A1	3 -m0n0- and 3 , 5-disubstituted piperidine derivatives as renin inhibitors	20050503

PMID	Publication Date	Title	Journal
12852967	20030804	Ring substituted analogues of 5-aminomethyl-10,11-dihydro-dibenzo[a,d]cycloheptene (AMDH): potential modes of binding to the 5-HT(2A) receptor	Bioorganic & medicinal chemistry letters
11931619	20020411	Geometry-affinity relationships of the selective serotonin receptor ligand 9-(aminomethyl)-9,10-dihydroanthracene	Journal of medicinal chemistry
11229772	20010226	Exploring the relationship between binding modes of 9-(aminomethyl)-9,10-dihydroanthracene and cyproheptadine analogues at the 5-HT2A serotonin receptor	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.136099547
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.136099547
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3