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| CAS No.: | 252720-31-3 |
|---|---|
| Name: | N-BOC-AMINO-PIPERIDINYL-1,1-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C11H20N2O4 |
| Molecular Weight: | 244.291 |
| Synonyms: | N-BOC-AMINO-PIPERIDINYL-1,1-CARBOXYLIC ACID;N-(TERT-BUTOXYCARBONYL)-AMINO-PIPERIDINYL-1,1-CARBOXYLIC ACID;N-BOC-Amino-piperidinyl-1,1-carboxylic acid,95%;4-(tert-butoxycarbonyl)piperidine-4-carboxylic acid;4-(Boc-aMino)piperidine-4-carboxylic Acid;2-{[(tert-butoxy)carbonyl]aMino}piperidine-1-carboxylic acid;4-[[(tert-butoxyl)carbonyl]amino]-4-piperidinecarboxylic acid |
| Density: | 1.18 g/cm3 |
| Boiling Point: | 409.8 °C at 760 mmHg |
| Flash Point: | 201.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 87.66000 |
| LogP: | 1.43760 |
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Specification
This chemical is called 4-[(tert-Butoxycarbonyl)amino]piperidine-4-carboxylic acid, and its CAS registry number is 252720-31-3. With the molecular formula of C11H20N2O4, its molecular weight is 244.29. Additionally, it's white to off-white crystalline powder. It should be stored at the temperature of 0-6 °C.
Other characteristics of the 4-[(tert-Butoxycarbonyl)amino]piperidine-4-carboxylic acid can be summarised as followings: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.47; (4)ACD/LogD (pH 7.4): -1.47; (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: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 61.75 cm3; (15)Molar Volume: 205.8 cm3; (16)Polarizability: 24.48×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 201.7 °C; (20)Enthalpy of Vaporization: 72.64 kJ/mol; (21)Boiling Point: 409.8 °C at 760 mmHg; (22)Vapour Pressure: 7.27E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. 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)NC1(C(=O)O)CCNCC1
2.InChI: InChI=1/C11H20N2O4/c1-10(2,3)17-9(16)13-11(8(14)15)4-6-12-7-5-11/h12H,4-7H2,1-3H3,(H,13,16)(H,14,15)
3.InChIKey: RAENIWWUAIMXSI-UHFFFAOYAE