CAS No.117625-90-8,N-tert-Butoxycarbonylpyrrole-2-carboxaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	117625-90-8
Name:	N-tert-Butoxycarbonylpyrrole-2-carboxaldehyde
Article Data:	239

Formula:	C₁₀H₁₇NO₃
Molecular Weight:	199.25
Synonyms:	2-Formylpyrrolidine-1-carboxylicacid tert-butyl ester;N-(Carbo-tert-butoxy)-2-pyrrolidinecarboxaldehyde;N-tert-Butoxycarbonylpyrrole-2-carboxaldehyde;
Density:	1.148 g/cm³
Boiling Point:	276.345 °C at 760 mmHg
Flash Point:	120.929 °C
PSA:	46.61000
LogP:	1.52270

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Specification

The N-tert-Butoxycarbonylpyrrole-2-carboxaldehyde, with the CAS registry number 117625-90-8, is also known as 1-Pyrrolidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl ester. This chemical's molecular formula is C₁₀H₁₇NO₃ and formula weight is 199.248. What's more, its systematic name is called tert-Butyl 2-formylpyrrolidine-1-carboxylate.

Physical properties about this chemical are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.127; (4)ACD/LogD (pH 7.4): 1.127; (5)ACD/BCF (pH 5.5): 4.232; (6)ACD/BCF (pH 7.4): 4.232; (7)ACD/KOC (pH 5.5): 97.752; (8)ACD/KOC (pH 7.4): 97.752; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 53.437 cm³; (15)Molar Volume: 173.536 cm³; (16)Surface Tension: 47.654 dyne/cm; (17)Density: 1.148 g/cm³; (18)Flash Point: 120.929 °C; (19)Enthalpy of Vaporization: 51.485 kJ/mol; (20)Boiling Point: 276.345 °C at 760 mmHg; (21)Vapour Pressure: 0.005 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCCC1C=O
(2)InChI: InChI=1/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-8H,4-6H2,1-3H3
(3)InChIKey: YDBPZCVWPFMBDH-UHFFFAOYAP