CAS No.58108-05-7,3-Amino-3-azabicyclo[3.3.0]octane hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	58108-05-7
Name:	3-Amino-3-azabicyclo[3.3.0]octane hydrochloride
Article Data:	4

Formula:	C₇H₁₄N₂^.HCl
Molecular Weight:	162.662
Synonyms:	Cyclopenta[c]pyrrol-2(1H)-amine,hexahydro-, monohydrochloride (9CI);2(1H)-Aminohexahydrocyclopenta[c]pyrrolehydrochloride;N-Amino-3-azabicyclo[3.3.0]octane hydrochloride;
EINECS:	261-131-9
Melting Point:	170-174 °C(lit.)
Boiling Point:	229.9 °C at 760 mmHg
Flash Point:	92.9 °C
Appearance:	light yellow brown powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	29.26000
LogP:	2.03220

Synthetic route

: 54528-00-6
N-amino-aza-3-bicyclo<3.3.0>octane

: 58108-05-7
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions

Conditions	Yield
With hydrogenchloride	96%

: N-amino-1,2-cyclopentanedicarboximide

: 58108-05-7
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions

Conditions	Yield
Stage #1: N-amino-1,2-cyclopentanedicarboximide With aluminum (III) chloride In tetrahydrofuran at 45℃; for 0.333333h; Large scale; Stage #2: With sodium tetrahydroborate In tetrahydrofuran for 6h; Reflux; Large scale; Stage #3: With hydrogenchloride In tetrahydrofuran pH=3; Solvent; Temperature; Large scale;	81.3%
Multi-step reaction with 2 steps 1: acetic acid; pyrographite; ruthenium(III) chloride trihydrate; hydrogen / water / 16 h / 140 °C / 60006 Torr / Autoclave 2: hydrogenchloride View Scheme

: 21187-98-4
gliclazide

A: 70-55-3
toluene-4-sulfonamide

B: 58108-05-7
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions

Conditions	Yield
With chloride ions In various solvent(s) at 37℃; for 24h; Product distribution; various concentrations of anions and cations, with and without human serum proteins;

: cis-cyclopentane-1,2-dimethanol

: 58108-05-7
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; hydrazine hydrochloride In water at 140℃; under 1672.11 - 4256.29 Torr; for 5h; Autoclave;

: cis-cyclopentane-1,2-dimesylate

: 58108-05-7
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; hydrazine hydrochloride In water for 4h; Reflux;

: cis-1,2-dichloromethylcyclopentane

: 58108-05-7
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; hydrazine hydrochloride In water for 10h; Reflux;

: cis-1-hydroxymethyl-2-chloromethylcyclopentane

: 58108-05-7
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; hydrazine hydrochloride In water at 115 - 120℃; under 1140.08 - 1900.13 Torr; Autoclave;

: 58108-05-7
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

: 1694-06-0
4-toluenesulfonylurea

: 21187-98-4
gliclazide

Conditions

Conditions	Yield
In toluene for 3h; Reflux;	86%

: 796875-26-8
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid

: 58108-05-7
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

: 1-(4-chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid (hexahydro-cyclopenta[c]pyrrol-2-yl)-amide

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 16h;	84%

: 100-52-7
benzaldehyde

: 58108-05-7
3-azabicyclo<3.3.0>oct-3-yl-amine monohydrochloride

: (E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylmethanimine

Conditions

Conditions	Yield
With magnesium sulfate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;	71%

Raw Materials

21187-98-4

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Specification

The Cyclopenta[c]pyrrol-2(1H)-amine,hexahydro-, hydrochloride (1:1), with the CAS registry number 58108-05-7, is also known as Cyclopenta[c]pyrrol-2(1H)-amine, hexahydro-, hydrochloride (1:1). It belongs to the product categories of Pyrrolidines; Building Blocks; Heterocyclic Building Blocks. Its EINECS registry number is 261-131-9. This chemical's molecular formula is C₇H₁₄N₂^.HCl and molecular weight is 162.66. Its IUPAC name is called 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-amine hydrochloride. you should keep the storage device sealing and this chemcial should be stored in a cool, dry place.

Physical properties of Cyclopenta[c]pyrrol-2(1H)-amine,hexahydro-, hydrochloride (1:1): (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.22; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Flash Point: 92.9 °C; (11)Melting Point: 170-174 °C(lit.); (12)Enthalpy of Vaporization: 47.6 kJ/mol; (13)Boiling Point: 229.9 °C at 760 mmHg; (14)Vapour Pressure: 0.055 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2CN(CC2C1)N.Cl
(2)InChI: InChI=1S/C7H14N2.ClH/c8-9-4-6-2-1-3-7(6)5-9;/h6-7H,1-5,8H2;1H
(3)InChIKey: WPYNXKFLSQEEFE-UHFFFAOYSA-N