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Cas Database |
| Name |
(S)-(-)-1-Benzyl-3-(Boc-amino)pyrrolidine |
EINECS | N/A |
| CAS No. | 131852-53-4 | Density | 1.089 g/cm3 |
| PSA | 41.57000 | LogP | 3.11440 |
| Solubility | N/A | Melting Point |
77-81 °C(lit.) |
| Formula | C16H24N2O2 | Boiling Point | 385.142 °C at 760 mmHg |
| Molecular Weight | 276.379 | Flash Point | 186.727 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Carbamicacid, [(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI);Carbamic acid, [1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester,(S)-;(S)-1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine;tert-Butyl((S)-1-benzylpyrrolidin-3-yl)carbamate; |
Article Data | 4 |
(S)-(-)-1-Benzyl-3-(Boc-amino)pyrrolidine Chemical Properties
Molecular Structure of (S)-(-)-1-Benzyl-3-(Boc-amino)pyrrolidine (CAS No.131852-53-4):
Molecular Formula: C16H24N2O2
Molecular Weight: 276.374
CAS No: 131852-53-4
IUPAC Name: tert-Butyl N-[(3S)-1-benzylpyrrolidin-3-yl]carbamate
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 41.57 Å2
Index of Refraction: 1.546
Molar Refractivity: 80.389 cm3
Molar Volume: 253.739 cm3
Surface Tension: 42.839 dyne/cm
Density: 1.089 g/cm3
Flash Point: 186.727 °C
Enthalpy of Vaporization: 63.391 kJ/mol
Boiling Point: 385.142 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKey: PHOIDJGLYWEUEK-AWEZNQCLBS
Std. InChI: InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m0/s1
Std. InChIKey: PHOIDJGLYWEUEK-AWEZNQCLSA-N
(S)-(-)-1-Benzyl-3-(Boc-amino)pyrrolidine Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
(S)-(-)-1-Benzyl-3-(Boc-amino)pyrrolidine Specification
(S)-(-)-1-Benzyl-3-(Boc-amino)pyrrolidine (CAS No.131852-53-4), its synonyms are Carbamic acid, N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester ; tert-Butyl [(3S)-1-benzylpyrrolidin-3-yl]carbamate ; (S)-(−)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine ; (S)-(1-Benzyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester ; (S)-1-Benzyl-3-N-Boc-amino-pyrrolidine ; (S)-tert-butyl 1-benzylpyrrolidin-3-ylcarbamate
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