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850374-97-9

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Basic Information
CAS No.: 850374-97-9
Name: TERT-BUTYL 4-(5-FORMYL-4-METHYL-1,3-THIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE
Molecular Structure:
Molecular Structure of 850374-97-9 (TERT-BUTYL 4-(5-FORMYL-4-METHYL-1,3-THIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE)
Formula: C15H22N2O3S
Molecular Weight: 310.41
Synonyms: Tert-butyl 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate;1-Boc-4-(5-formyl-4-methylthiazol-2-yl)piperidine;EN002769;ZINC04277333;AC1NLOZ8;CC31104;
Density: 1.196 g/cm3
Melting Point: 220 °C
Boiling Point: 440.158 °C at 760 mmHg
Flash Point: 220 °C
Hazard Symbols: Xn
Risk Codes: 36/37/38
Safety: 26-36
PSA: 87.74000
LogP: 3.31640
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Specification

The 1-Piperidinecarboxylicacid, 4-(5-formyl-4-methyl-2-thiazolyl)-, 1,1-dimethylethyl ester with CAS registry number of 850374-97-9 is also known as Tert-butyl4-(5-formyl-4-methylthiazol-2-yl)piperidine-1-carboxylate. The IUPAC name is Tert-butyl 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate. In addition, the formula is C15H22N2O3S and the molecular weight is 310.41.

Physical properties about 1-Piperidinecarboxylicacid, 4-(5-formyl-4-methyl-2-thiazolyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): 1.179; (3)ACD/LogD (pH 7.4): 1.18; (4)ACD/BCF (pH 5.5): 4.638; (5)ACD/BCF (pH 7.4): 4.639; (6)ACD/KOC (pH 5.5): 104.367; (7)ACD/KOC (pH 7.4): 104.394; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.56; (11)Molar Refractivity: 83.938 cm3; (12)Molar Volume: 259.526 cm3; (13)Surface Tension: 49.036 dyne/cm; (14)Density: 1.196 g/cm3; (15)Flash Point: 220 °C; (16)Enthalpy of Vaporization: 69.724 kJ/mol; (17)Boiling Point: 440.158 °C at 760 mmHg.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: Cc1c(sc(n1)C2CCN(CC2)C(=O)OC(C)(C)C)C=O
2. InChI: InChI=1/C15H22N2O3S/c1-10-12(9-18)21-13(16-10)11-5-7-17(8-6-11)14(19)20-15(2,3)4/h9,11H,5-8H2,1-4H3
3. InChIKey: WNLBLKQMNXRZLB-UHFFFAOYAD
4. Std. InChI: InChI=1S/C15H22N2O3S/c1-10-12(9-18)21-13(16-10)11-5-7-17(8-6-11)14(19)20-15(2,3)4/h9,11H,5-8H2,1-4H3
5. Std. InChIKey: WNLBLKQMNXRZLB-UHFFFAOYSA-N