CAS No.475105-35-2,(S)-2-AMINOMETHYL-1-N-BOC-PIPERIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	475105-35-2
Name:	(S)-2-AMINOMETHYL-1-N-BOC-PIPERIDINE
Article Data:	2

Formula:	C₁₁H₂₂N₂O₂
Molecular Weight:	214.308
Synonyms:	(S)-2-Aminomethyl-N-Boc-piperidine;(S)-2-Aminomethylpiperidine-1-carboxylic acid tert-butyl ester;
Density:	1.023 g/cm³
Boiling Point:	299.4 °C at 760 mmHg
Flash Point:	134.9 °C
Hazard Symbols:	Xn,N
Risk Codes:	22-50
Safety:	61
PSA:	55.56000
LogP:	2.37290

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Specification

This chemical is called (S)-2-(Aminomethyl)-1-N-Boc-piperidine, and its systematic name is tert-butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate. With the molecular formula of C₁₁H₂₂N₂O₂, its molecular weight is 214.30. The CAS registry number of this chemical is 475105-35-2.

Other characteristics of the (S)-2-(Aminomethyl)-1-N-Boc-piperidine can be summarised as followings: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -1.62; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 59.66 cm³; (15)Molar Volume: 209.4 cm³; (16)Polarizability: 23.65×10^-24cm³; (17)Surface Tension: 37 dyne/cm; (18)Density: 1.023 g/cm³; (19)Flash Point: 134.9 °C; (20)Enthalpy of Vaporization: 53.94 kJ/mol; (21)Boiling Point: 299.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N1[C@@H](CCCC1)CN
2.InChI: InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-8,12H2,1-3H3/t9-/m0/s1
3.InChIKey: PTVRCUVHYMGECC-VIFPVBQEBH