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(S)-(-)-1-Amino-2-(1'-methoxy-1'-methylethyl)pyrrolidine

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Name

(S)-(-)-1-Amino-2-(1'-methoxy-1'-methylethyl)pyrrolidine

EINECS N/A
CAS No. 118535-61-8 Density N/A
PSA 38.49000 LogP 1.38770
Solubility N/A Melting Point N/A
Formula C8H18N2O Boiling Point 210.2 °C at 760 mmHg
Molecular Weight 158.244 Flash Point 80.9 °C
Transport Information N/A Appearance clear colorless liquid
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 118535-61-8 ((S)-(-)-AMINO-2-(1'-METHOXY-1'-METHYLETHYL)PYRROLIDINE) Hazard Symbols IrritantXi
Synonyms

1-Pyrrolidinamine,2-(1-methoxy-1-methylethyl)-, (S)-;SADP;SADP (chiral auxiliary);

 

(S)-(-)-1-Amino-2-(1'-methoxy-1'-methylethyl)pyrrolidine Specification

The systematic name of (S)-(-)-1-Amino-2-(1'-methoxy-1'-methylethyl)pyrrolidine is (2S)-1-ammonio-2-(1-methoxy-1-methylethyl)pyrrolidinium. With the CAS registry number 118535-61-8, it is also named as 1-Pyrrolidinamine,2-(1-methoxy-1-methylethyl)-, (2S)-. The product is clear colorless liquid, its molecular formula is C8H18N2O and its molecular weight is 158.24. In addition, it should be closed at -20 º C and stored in cool and dry environment.

The other characteristics of (S)-(-)-1-Amino-2-(1'-methoxy-1'-methylethyl)pyrrolidine can be summarized as: (1)ACD/LogP: -0.55 ; (2)# of Rule of 5 Violations: 0 ; (3)H bond acceptors: 3 ; (4) H bond donors: 2 ; (5)Freely Rotating Bonds: 3; (6)Index of Refraction: 1.467-1.469 ; (7) Molar Refractivity: 45.50 ; (8)Molar Volume: 159.9 m3/mol; (9)Surface Tension: 35.8 dyne/cm ; (10)Flash Point: 80.9 °C ; (11)Enthalpy of Vaporization: 44.65 kJ/mol ; (12)Boiling Point: 210.2 °C at 760 mmHg ; (13)Vapour Pressure: 0.195 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
(S)-(-)-1-Amino-2-(1'-methoxy-1'-methylethyl)pyrrolidine is irritating to eyes, respiratory system and skin. When you use it, you should wear suitable gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(C)C([C@H]1[NH+]([NH3+])CCC1)(C)C;
(2)InChI:InChI=1/C8H20N2O/c1-8(2,11-3)7-5-4-6-10(7)9/h7,10H,4-6H2,1-3,9H3/q+2/t7-/m0/s1;
(3)InChIKey:YCWNFLSTPFOYNZ-ZETCQYMHBZ;
(4)Std. InChI:InChI=1S/C8H20N2O/c1-8(2,11-3)7-5-4-6-10(7)9/h7,10H,4-6H2,1-3,9H3/q+2/t7-/m0/s1;
(5)Std. InChIKey:YCWNFLSTPFOYNZ-ZETCQYMHSA-N.

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