tert-Butyl methyl[(3S)-pyrrolidin-3-yl]carbamate supplier

Name
3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)PYRROLIDINE
EINECS
CAS No. 169750-01-0
Article Data16
CAS DataBase
Density 1.032 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀N₂O₂
Boiling Point 268.252 °C at 760 mmHg
Molecular Weight 200.281
Flash Point 116.035 °C
Transport Information
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, methyl(3S)-3-pyrrolidinyl-, 1,1-dimethylethyl ester (9CI);Carbamic acid,methyl-3-pyrrolidinyl-, 1,1-dimethylethyl ester, (S)-;(3S)-3-[N-(tert-Butoxycarbonyl)-N-methylamino]pyrrolidine;(S)-3-[N-(tert-Butoxycarbonyl)-N-methylamino]pyrrolidine;
PSA 41.57000
LogP 1.54400

tert-Butyl methyl[(3S)-pyrrolidin-3-yl]carbamate Specification

The Carbamic acid,N-methyl-N-(3S)-3-pyrrolidinyl-, 1,1-dimethylethyl ester, with CAS registry number 169750-01-0, has the systematic name of tert-butyl methyl(pyrrolidin-3-yl)carbamate. Besides this, it is also called 3-(N-Tert-butoxycarbonyl-n-methylamino)pyrrolidine. And the chemical formula of this chemical is C₁₀H₂₀N₂O₂.

Physical properties of Carbamic acid,N-methyl-N-(3S)-3-pyrrolidinyl-, 1,1-dimethylethyl ester: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.93; (4)ACD/LogD (pH 7.4): -0.99; (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: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 55.67 cm³; (15)Molar Volume: 194 cm³; (16)Polarizability: 22.07×10^-24cm³; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.03 g/cm³; (19)Flash Point: 116 °C; (20)Enthalpy of Vaporization: 50.63 kJ/mol; (21)Boiling Point: 268.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00777 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N(C)C1CCNC1
(2)InChI: InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3
(3)InChIKey: XYKYUXYNQDXZTD-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3
(5)Std. InChIKey: XYKYUXYNQDXZTD-UHFFFAOYSA-N

Product Name

3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)PYRROLIDINE

tert-Butyl methyl[(3S)-pyrrolidin-3-yl]carbamate Specification

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