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| CAS No.: | 72040-64-3 |
|---|---|
| Name: | (+)-BIOTIN-EPSILON-AMINOCAPROIC ACID |
| Molecular Structure: | |
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| Formula: | C16H27N3O4S |
| Molecular Weight: | 357.474 |
| Synonyms: | D-BIOTIN-AMIDOCAPROIC ACID;BIOTIN-LC;BIOTIN CAPROIC ACID;(+)-BIOTIN-EPSILON-AMINOCAPROIC ACID;BIOTIN-X;6-((BIOTINOYL)AMINO)HEXANOIC ACID;6-[(+)-BIOTINYL]AMINOCAPROIC ACID;6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID |
| Density: | 1.2 g/cm3 |
| Melting Point: | 220-230 °C (dec.) |
| Boiling Point: | 721.3 °C at 760 mmHg |
| Flash Point: | 390 °C |
| Appearance: | white solid |
| Hazard Symbols: |
 F
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| Safety: | 22-24/25 |
| PSA: | 132.83000 |
| LogP: | 2.52190 |
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Specification
This chemical is called Hexanoic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-, and its systematic name is 6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid. With the molecular formula of C16H27N3O4S, its molecular weight is 357.47. The CAS registry number of this chemical is 72040-64-3. Additionally, its product category is Biotin Derivatives. It's used as an active biotinylation reagent.
Other characteristics of the Hexanoic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]- can be summarised as followings: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.13; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 95.46 Å2; (11)Index of Refraction: 1.532; (12)Molar Refractivity: 92.31 cm3; (13)Molar Volume: 297.6 cm3; (14)Polarizability: 36.59×10-24cm3; (15)Surface Tension: 46 dyne/cm; (16)Density: 1.2 g/cm3; (17)Flash Point: 390 °C; (18)Enthalpy of Vaporization: 114.73 kJ/mol; (19)Boiling Point: 721.3 °C at 760 mmHg; (20)Vapour Pressure: 9.2E-23 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1N[C@@H]2[C@@H](SC[C@@H]2N1)CCCCC(=O)NCCCCCC(=O)O
2.InChI: InChI=1/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1
3.InChIKey: CMUGHZFPFWNUQT-HUBLWGQQBY