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endo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonane

endo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonane - CAS 76272-56-5

Catalog:	BB035539
Product Name:	endo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonane
CAS:	76272-56-5
Synonyms:	(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine; (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
Description:	Granisetron impurity E. An intermediate of Granisetron.
Molecular Weight:	154.25
Molecular Formula:	C9H18N2
Canonical SMILES:	CN1C2CCCC1CC(C2)N
InChI:	InChI=1S/C9H18N2/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6,10H2,1H3/t7?,8-,9+
InChI Key:	HTZWHTQVHWHSHN-CBLAIPOGSA-N
Boiling Point:	115-119 °C (18 mmHg)
Density:	0.968 g/cm³
Appearance:	Colorless or light yellow clear liquid
LogP:	1.59860

Publication Number	Title	Priority Date
CN-113354651-A	Pyrazolo [1,5-a ] quinazoline derivative and application thereof in preparation of medicines	20200730
US-2020163973-A1	Methods for treating huntington's disease	20170628
US-2020165256-A1	Compounds for treating huntington's disease	20170605
US-2020190175-A1	Method for predicting therapeutic effect of lsd1 inhibitor based on expression of insm1	20170531
US-2019330615-A1	Methods for modulating rna splicing	20161128

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	154.146998583
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.146998583
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9