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CAS No.: | 261165-05-3 |
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Name: | (+)-(1S,3R)-N-BOC-3-AMINOCYCLOPENTANECARBOXYLIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H19NO4 |
Molecular Weight: | 229.276 |
Synonyms: | (1R,3S)-N-Boc-1-aminocyclopentane-3-carboxylicacid;(1S,3R)-(+)-3-(tert-Butoxycarbonyl-amino)cyclopentane-1-carboxylic acid;(1S,3R)-3-[(tert-Butoxycarbonyl)amino]cyclopentanecarboxylic acid;(1S,4R)-4-(tert-Butoxycarbonylamino)cyclopentane-1-carboxylic acid; |
Density: | 1.15 g/cm3 |
Melting Point: | 110-114 °C |
Boiling Point: | 382.5 °C at 760 mmHg |
Flash Point: | 185.1 °C |
Appearance: | white powder or chunks |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 75.63000 |
LogP: | 2.15530 |
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The (1R,3S)-N-Boc-1-Aminocyclopentane-3-carboxylic acid, with the CAS registry number 261165-05-3, is also known as (+)-(1S,3R)-N-Boc-3-aminocyclopentanecarboxylic acid. Its molecular formula is C11H19NO4 and its systematic name is (1S,3R)-3-[(tert-butoxycarbonyl)amino]cyclopentanecarboxylic acid. Moreover, this chemical is white powder or chunks, and its product categories are Unusual Amino Acids; API Intermediates; Beta-Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. However, it should be kept cool and dry.
Other characteristics of the (1R,3S)-N-Boc-1-Aminocyclopentane-3-carboxylic acid can be summarised as followings: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): -1.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 58.05 cm3; (15)Molar Volume: 199 cm3; (16)Polarizability: 23.01×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 185.1 °C; (20)Enthalpy of Vaporization: 69.27 kJ/mol; (21)Boiling Point: 382.5 °C at 760 mmHg; (22)Vapour Pressure: 6.55E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: Do not breathe dust and avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N[C@H]1C[C@@H](C(=O)O)CC1
2.InChI: InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
3.InChIKey: RNJQBGXOSAQQDG-JGVFFNPUBQ