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| CAS No.: | 157023-34-2 |
|---|---|
| Name: | 1-Cbz-4-Aminomethylpiperidine |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C14H20N2O2 |
| Molecular Weight: | 248.325 |
| Synonyms: | Benzyl 4-(aminomethyl)piperidine-1-carboxylate;4-(Aminomethyl)piperidine-1-carboxylicacid benzyl ester; |
| Density: | 1.126 g/cm3 |
| Boiling Point: | 385.709 °C at 760 mmHg |
| Flash Point: | 187.07 °C |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 55.56000 |
| LogP: | 2.63210 |
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Specification
The 1-Piperidinecarboxylicacid, 4-(aminomethyl)-, phenylmethyl ester, with the CAS registry number 157023-34-2, is also known as 4-(Aminomethyl)piperidine-1-carboxylicacid benzyl ester. This chemical's molecular formula is C14H20N2O2 and molecular weight is 248.32. What's more, its systematic name is benzyl 4-(aminomethyl)piperidine-1-carboxylate.
Physical properties of 1-Piperidinecarboxylicacid, 4-(aminomethyl)-, phenylmethyl ester are: (1)ACD/LogP: 2.00; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 55.56 Å2; (11)Index of Refraction: 1.55; (12)Molar Refractivity: 70.292 cm3; (13)Molar Volume: 220.573 cm3; (14)Polarizability: 27.866×10-24cm3; (15)Surface Tension: 45.934 dyne/cm; (16)Density: 1.126 g/cm3; (17)Flash Point: 187.07 °C; (18)Enthalpy of Vaporization: 63.455 kJ/mol; (19)Boiling Point: 385.709 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C14H20N2O2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11,15H2
(2)InChIKey: ABJVEAFRFGTATH-UHFFFAOYSA-N
(3)Canonical SMILES: C1CN(CCC1CN)C(=O)OCC2=CC=CC=C2