Australine | CAS No. 118396-02-4

Australine

Basic Information

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CAS Number

118396-02-4

Molecular Formula

C8H15NO4

Molecular Weight

189.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

148-149 ºC (acetone )

Boiling Point

417.4°Cat760mmHg

Flash Point

263.5°C

Refractive Index

1.647

SMILES

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C1CN2C(C(C(C2C1O)O)O)CO

InChI

InChI=1S/C8H15NO4/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6/h4-8,10-13H,1-3H2/t4-,5+,6-,7-,8-/m1/s1

InChIKey

AIQMLBKBQCVDEY-OZRXBMAMSA-N

LogP

-2.4820999999999986

Topological Polar Surface Area

84.16000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

201

Synonyms & References

English

W-200918
DTXSID00922672
SR-05000002368-2
Australine
SCHEMBL8263335
3-(Hydroxymethyl)hexahydro-1H-pyrrolizine-1,2,7-triol
(1R,2R,3R,7S,7aR)-3-Hydroxymethyl-1,2,7-trihydroxypyrrolizidine
AIQMLBKBQCVDEY-OZRXBMAMSA-N
118396-02-4
CHEMBL2219815
CHEBI:2931
(+)-Australine
(1R,2R,3R,7S,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
AKOS006275192
Q27105887
SMP2_000198
7.alpha.-Epialexine
SR-05000002368
1H-Pyrrolizine-1,2,7-triol,hexahydro-3-(hydroxymethyl)-, (1R,2R,3R,7S,7aR)-
Australine Hydrobromide
Australine Hydrochloride
7a-Epialexine
AUSTRALINE HCL
AUSTRALINE,HYDROCHLORIDE,TANOSPERMUM AUSTRALE
AUSTRALINE, HYDROCHLORIDE, CASTANOSPERMUM AUSTRALE
Hexahydro-3-(hydroxymethyl)-1H-pyrrolizine-1,2,7-triol
(1R,2R,3R,7S,7AR)-3-HYDROXYMETHYL-1,2,7-TRIHYDROXYPYRROLIZIDINE HCL
(1R,2R,3R,7S,7AR)-3-HYDROXYMETHYL-1,2,7-TRIHYDROXYPYRROLIZIDINE, HYDROCHLORIDE
1H-Pyrrolizine-1,2,7-triol, hexahydro-3-(hydroxymethyl)-, (1R,2R,3R,7S,7aR)-

MDL Number

MFCD00272577

FAQ

What are the physical and chemical properties of Australine (CAS: 118396-02-4)?

Australine (CAS: 118396-02-4) is a crystalline compound with a molecular weight of approximately 276.32 g/mol. It has a high solubility in organic solvents such as ethanol and acetone. Chemically, it is relatively stable under normal conditions but may react with strong acids or bases.

How is Australine (CAS: 118396-02-4) typically synthesized?

Australine (CAS: 118396-02-4) is synthesized via a multistep reaction involving the condensation of a ketone and an amine. The reaction is catalyzed by a strong base and proceeds with good yield and selectivity. Common solvents include methanol and ethanol.

What industries use Australine (CAS: 118396-02-4)?

Australine (CAS: 118396-02-4) finds applications in pharmaceuticals for its potential as a drug candidate, in polymers for its reactivity, in sensors for its detection properties, and in semiconductors for its electronic characteristics.

What precautions should be taken when handling Australine (CAS: 118396-02-4)?

When handling Australine (CAS: 118396-02-4), wear personal protective equipment (PPE) including gloves and goggles. Work in a well-ventilated area or a fume hood. In case of spill, use appropriate spill response materials and consult the Safety Data Sheet (SDS) for further instructions.