-
Name
(4-PHENYLPYRROLIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER
- EINECS
- CAS No. 351360-61-7
- Article Data7
- CAS DataBase
- Density 1.09g/cm3
- Solubility
- Melting Point
- Formula C15H22N2O2
- Boiling Point 401.1oC at 760 mmHg
- Molecular Weight 262.352
- Flash Point 196.4°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (4-PHENYLPYRROLIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER;TERT-BUTYL [(3S,4R)-4-PHENYLPYRROLIDIN-3-YL]CARBAMATE;TRANS-3-N-BOC-AMINO-4-PHENYLPYRROLIDINE;trans-(+/-)(4-Phenylpyrrolidin--yl)-carbamic acid;trans-(+/-)(4-Phenylpyrrolidin-3-yl)-carbamic acid
- PSA 50.36000
- LogP 2.98640
tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate Chemical Properties
Molecular Structure of tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate (CAS No.351360-61-7):
Molecular Formula: C15H22N2O2
Molecular Weight: 262.3474
CAS No: 351360-61-7
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 50.36 Å2
Index of Refraction: 1.543
Molar Refractivity: 75.5 cm3
Molar Volume: 239.2 cm3
Surface Tension: 41.9 dyne/cm
Density: 1.09 g/cm3
Flash Point: 196.4 °C
Enthalpy of Vaporization: 65.21 kJ/mol
Boiling Point: 401.1 °C at 760 mmHg
Vapour Pressure: 1.21E-06 mmHg at 25°C
InChI: InChI=1/C15H22N2O2/c1-15(2,3)19-14(18)17-13-10-16-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)/t12-,13+/m0/s1
InChIKey: OQKMVLIVAWGYRD-QWHCGFSZBS
Std. InChI: InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-10-16-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)/t12-,13+/m0/s1
Std. InChIKey: OQKMVLIVAWGYRD-QWHCGFSZSA-N
Systematic Name: tert-Butyl [(3S,4R)-4-phenylpyrrolidin-3-yl]carbamate
tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate Specification
tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate (CAS No.351360-61-7), its synonyms are Carbamic acid, N-[(3S,4R)-4-phenyl-3-pyrrolidinyl]-, 1,1-dimethylethyl ester ; Trans (+/-) (4-phenylpyrrolidin-3-yl)carbamic acid tert-butyl ester .
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