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CAS No.: | 119020-01-8 |
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Name: | (S)-1-N-Boc-2-(aminomethyl)pyrrolidine |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C10H20N2O2 |
Molecular Weight: | 200.281 |
Synonyms: | 1-Pyrrolidinecarboxylicacid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, (S)-;(2S)-2-(Aminomethyl)pyrrolidine-1-carboxylicacid tert-butyl ester;(2S)-2-Aminomethylpyrrolidine-1-carboxylic acidtert-butyl ester;(2S)-Aminomethylpyrrolidine-1-carboxylic acid tert-butylester;(S)-2-(Aminomethyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethylester;(S)-2-Aminomethylpyrrolidine-1-carboxylic acid tert-butyl ester;tert-Butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-Butyl(S)-2-aminomethylpyrrolidine-1-carboxylate;(S)-2-(Aminomethyl)-1-N-Boc-pyrrolidine; |
Density: | 1.044 g/cm3 |
Boiling Point: | 280.3 °C at 760 mmHg |
Flash Point: | 123.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 55.56000 |
LogP: | 1.98280 |
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The IUPAC name of (S)-1-Boc-2-(aminomethyl)pyrrolidine is tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate. With the CAS registry number 119020-01-8, it is also named as (S)-2-(Aminomethyl)-1-N-Boc-pyrrolidine. The product's categories are Pharmacetical; Pyrrole & Pyrrolidine & Pyrroline. In addition, its molecular formula is C10H20N2O2 and molecular weight is 200.28.
The other characteristics of (S)-1-Boc-2-(aminomethyl)pyrrolidine can be summarized as: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -1.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 55.05 cm3; (15)Molar Volume: 191.7 cm3; (16)Polarizability: 21.82×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.044 g/cm3; (19)Flash Point: 123.3 °C; (20)Enthalpy of Vaporization: 51.91 kJ/mol; (21)Boiling Point: 280.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0038 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)N1[C@@H](CCC1)CN
(2)InChI: InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3/t8-/m0/s1
(3)InChIKey: SOGXYCNKQQJEED-QMMMGPOBBA
(4)Std. InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3/t8-/m0/s1
(5)Std. InChIKey: SOGXYCNKQQJEED-QMMMGPOBSA-N