CAS No.331281-25-5,TERT-BUTYL 4-AMINO-4-CYANOPIPERIDINE-1-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	331281-25-5
Name:	TERT-BUTYL 4-AMINO-4-CYANOPIPERIDINE-1-CARBOXYLATE

Formula:	C₁₁H₁₉N₃O₂
Molecular Weight:	225.291
Synonyms:	4-Amino-4-cyanopiperidine-1-carboxylicacid tert-butyl ester;
Density:	1.127 g/cm³
Boiling Point:	352.852 °C at 760 mmHg
Flash Point:	167.199 °C
PSA:	79.35000
LogP:	1.87658

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Specification

The 1-Piperidinecarboxylicacid, 4-amino-4-cyano-, 1,1-dimethylethyl ester, with the CAS registry number 331281-25-5, is also known as 4-Amino-4-cyanopiperidine-1-carboxylic acid tert-butylester. This chemical's molecular formula is C₁₁H₁₉N₃O₂ and molecular weight is 225.29. What's more, its systematic name is Tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate.

Physical properties about 1-Piperidinecarboxylicacid, 4-amino-4-cyano-, 1,1-dimethylethyl ester: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.83; (8)ACD/KOC (pH 7.4): 31.13; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 79.35 ?2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 60.25 cm³; (15)Molar Volume: 199.9 cm³; (16)Polarizability: 23.88×10^-24cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.12 g/cm³; (19)Flash Point: 167.2 °C; (20)Enthalpy of Vaporization: 59.77 kJ/mol; (21)Boiling Point: 352.9 °C at 760 mmHg; (22)Vapour Pressure: 3.73E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCC(N)(CC1)C#N
(2) InChI: InChI=1/C11H19N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-7,13H2,1-3H3
(3) InChIKey: ZDAOYEIIJSEFSW-UHFFFAOYAF