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CAS No.: | 4136-37-2 |
---|---|
Name: | Stachydrine Hydrochloride |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H14ClNO2 |
Molecular Weight: | 179.647 |
Synonyms: | Pyrrolidinium,2-carboxy-1,1-dimethyl-, chloride, (2S)- (9CI);Stachydrine, chloride (6CI,7CI);Stachydrine, hydrochloride(8CI); |
EINECS: | 223-957-8 |
Melting Point: | 225 °C |
Appearance: | light yellow paste |
Risk Codes: | 20 |
Safety: | 22-45 |
PSA: | 40.13000 |
LogP: | -0.26410 |
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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