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Stachydrine Hydrochloride

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Name

Stachydrine Hydrochloride

EINECS 223-957-8
CAS No. 4136-37-2 Density N/A
PSA 40.13000 LogP -0.26410
Solubility N/A Melting Point 225 °C
Formula C7H14ClNO2 Boiling Point N/A
Molecular Weight 179.647 Flash Point N/A
Transport Information N/A Appearance light yellow paste
Safety 22-45 Risk Codes 20
Molecular Structure Molecular Structure of 4136-37-2 (Stachydrine Hydrochloride) Hazard Symbols N/A
Synonyms

Pyrrolidinium,2-carboxy-1,1-dimethyl-, chloride, (2S)- (9CI);Stachydrine, chloride (6CI,7CI);Stachydrine, hydrochloride(8CI);

Article Data 1

Stachydrine Hydrochloride Specification

The CAS register number of Pyrrolidinium,2-carboxy-1,1-dimethyl-, chloride (1:1), (2S)- is 4136-37-2. It also can be called as (S)-2-Carboxy-1,1-dimethylpyrrolidinium chloride and the IUPAC name about this chemical is (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate hydrochloride. The molecular formula about this chemical is C7H14ClNO2 and the molecular weight is 179.64. It belongs to the following product categories which include Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds and so on.

Physical properties about Pyrrolidinium,2-carboxy-1,1-dimethyl-, chloride (1:1), (2S)- are: (1)ACD/LogP: -2.97; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.3Å2.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation. When you are using it, please do not breathe dust. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])C1[N+](C)(C)CCC1.Cl
(2)InChI: InChI=1/C7H13NO2.ClH/c1-8(2)5-3-4-6(8)7(9)10;/h6H,3-5H2,1-2H3;1H
(3)InChIKey: DUNMULOWUUIQIL-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H13NO2.ClH/c1-8(2)5-3-4-6(8)7(9)10;/h6H,3-5H2,1-2H3;1H
(5)Std. InChIKey: DUNMULOWUUIQIL-UHFFFAOYSA-N

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