-
Name
(3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine
- EINECS
- CAS No. 190792-74-6
- Article Data10
- CAS DataBase
- Density 1.179 g/cm3
- Solubility
- Melting Point
- Formula C9H18N2O3
- Boiling Point 308.762 °C at 760 mmHg
- Molecular Weight 202.254
- Flash Point 140.535 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Pyrrolidinecarboxylicacid, 3-amino-4-hydroxy-, 1,1-dimethylethyl ester, (3S-trans)-;(3S,4S)-3-Amino-4-hydroxypyrrolidine-1-carboxylic acid tert-butyl ester;tert-Butyl (3S,4S)-3-Amino-4-hydroxypyrrolidine-1-carboxylate;
- PSA 75.79000
- LogP 0.56350
(3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine Specification
The (3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine, with the CAS registry number 190792-74-6, is also known as (3S,4S)-tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate and (3S,4S)-3-Amino-4-hydroxypyrrolidine-1-carboxylic acid tert-butyl ester. It belongs to the product category of Aminoacid. This chemical's molecular formula is C9H18N2O3 and molecular weight is 202.25. What's more, its systematic name is called tert-Butyl (3S,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate.
Physical properties about (3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine are: (1) ACD/LogP: 0.38; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -4; (4) ACD/LogD (pH 7.4): -2; (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: 5; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 75.79 Å2; (13) Index of Refraction: 1.518; (14) Molar Refractivity: 51.972 cm3; (15) Molar Volume: 171.518 cm3; (16) Surface Tension: 48.099 dyne/cm; (17) Density: 1.179 g/cm3; (18) Flash Point: 140.535 °C; (19) Enthalpy of Vaporization: 63.717 kJ/mol; (20) Boiling Point: 308.762 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N1C[C@H](N)[C@@H](O)C1
(2) InChI: InChI=1/C9H18N2O3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5,10H2,1-3H3/t6-,7-/m0/s1
(3) InChIKey: MOZOQDNRVPHFOO-BQBZGAKWBB
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