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CAS No.: | 116183-83-6 |
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Name: | (3S)-(+)-3-Aminopyrrolidine dihydrochloride |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H10N2.2ClH |
Molecular Weight: | 159.059 |
Synonyms: | 3-Pyrrolidinamine,dihydrochloride, (3S)- (9CI);3-Pyrrolidinamine, dihydrochloride, (S)-;(S)-3-Aminopyrrolidinedihydrochloride;(S)-3-Pyrrolidinamine dihydrochloride;3S-Aminopyrrolidinedihydrochloride; |
EINECS: | -0 |
Melting Point: | 283 °C |
Boiling Point: | 214.5 °C at 760 mmHg |
Flash Point: | 83.5 °C |
Solubility: | very faint turbidity |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 38.05000 |
LogP: | 1.94010 |
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The 3S-Aminopyrrolidinedihydrochloride with cas register number of 116183-83-6 belongs to the categories of Pyrrole & Pyrrolidine & Pyrroline; Benzenes; 3-Aminopyrrolidines; Amines (Chiral); Chiral 3-Aminopyrrolidines; Chiral Building Blocks; Synthetic Organic Chemistry. It is also known as 3-Pyrrolidinamine, hydrochloride (1:2), (3S)-. Both its systematic name and IUPAC name are the same which is called (3S)-pyrrolidin-3-amine dihydrochloride.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 38.05 Å2; (10)Flash Point: 83.5 °C; (11)Enthalpy of Vaporization: 46 kJ/mol; (12)Boiling Point: 214.5 °C at 760 mmHg; (13)Vapour Pressure: 0.128 mmHg at 25°C; (14)Refractive index: 1.1 ° (C=10, H2O).
When you are using this chemical, please be cautious about it as the following:
This chemical is sensitive to hygroscopic. It is irritating to eyes, respiratory system and skin. So remember wear suitable protective clothing when you are using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.N[C@H]1CCNC1;
(2)InChI: InChI=1/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H/t4-;;/m0../s1;
(3)InChIKey: NJPNCMOUEXEGBL-FHNDMYTFBN