3-Aminotropane dihydrochloride - CAS 646477-45-4

Name: 3-Aminotropane dihydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032528
Product Name:	3-Aminotropane dihydrochloride
CAS:	646477-45-4
Synonyms:	8-methyl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride

Technical Data

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Patents

Computed Properties

IUPAC Name:	8-methyl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
Description:	3-Aminotropane dihydrochloride (CAS# 646477-45-4) is a useful research chemical.
Molecular Weight:	213.15
Molecular Formula:	C8H16N2 · 2HCl
Canonical SMILES:	CN1C2CCC1CC(C2)N.Cl.Cl
InChI:	InChI=1S/C8H16N2.2ClH/c1-10-7-2-3-8(10)5-6(9)4-7;;/h6-8H,2-5,9H2,1H3;2*1H
InChI Key:	KVYQKWPZQKGICY-UHFFFAOYSA-N
Boiling Point:	181.6 °C at 760 mmHg
Purity:	95 %
Appearance:	Solid
LogP:	2.81250

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline
[2006278-12-0]C13H9BrN2O
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3269714-A1	Inhibitors of tryptophan 2,3-dioxygenase	20160713
EP-3484867-A1	Inhibitors of tryptophan 2,3-dioxygenase	20160713
US-10689343-B2	Inhibitors of tryptophan 2,3-dioxygenase	20160713
US-2019315688-A1	Intibtors of tryptophan 2,3-dioxygenase	20160713
WO-2018011227-A1	Inhibitors of tryptophan 2,3-dioxygenase	20160713

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0847040
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	212.0847040
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0