4-Piperidinecarbonitrile, 4-hydroxy-1-(phenylmethyl)-, hydrochloride (1:1) supplier

Name
1-BENZYL-4-CYANO-4-HYDROXYPIPERIDINE HYDROCHLORIDE 98
EINECS 275-713-5
CAS No. 71617-20-4
Density
Solubility very faint turbidity
Melting Point 172 °C
Formula C₁₃H₁₇ClN₂O
Boiling Point 399.5 °C at 760 mmHg
Molecular Weight 252.744
Flash Point 195.4 °C
Transport Information UN 3276
Appearance light yellow to light brown powder or crystals
Safety 22-36/37-36-26
Risk Codes 22-36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms 4-Piperidinecarbonitrile,4-hydroxy-1-(phenylmethyl)-, monohydrochloride (9CI);1-Benzyl-4-cyano-4-hydroxypiperidine hydrochloride;
PSA 47.26000
LogP 2.27698

4-Piperidinecarbonitrile, 4-hydroxy-1-(phenylmethyl)-, hydrochloride (1:1) Specification

This chemical is called 4-Piperidinecarbonitrile, 4-hydroxy-1-(phenylmethyl)-, hydrochloride (1:1), and its systematic name is 1-Benzyl-4-hydroxypiperidine-4-carbonitrile monohydrochloride. With the molecular formula of C₁₃H₁₇ClN₂O, its molecular weight is 252.74. The CAS registry number of this chemical is 71617-20-4.

Other characteristics of the 4-Piperidinecarbonitrile, 4-hydroxy-1-(phenylmethyl)-, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.18; (7)ACD/KOC (pH 5.5): 4.31; (8)ACD/KOC (pH 7.4): 38.07; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.26 Å²; (13)Flash Point: 195.4 °C; (14)Enthalpy of Vaporization: 68.58 kJ/mol; (15)Boiling Point: 399.5 °C at 760 mmHg; (16)Vapour Pressure: 4.22E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.N#CC2(O)CCN(Cc1ccccc1)CC2
2.InChI: InChI=1/C13H16N2O.ClH/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12;/h1-5,16H,6-10H2;1H
3.InChIKey: BFCODNKBFLYVOU-UHFFFAOYAD

Product Name

1-BENZYL-4-CYANO-4-HYDROXYPIPERIDINE HYDROCHLORIDE 98

4-Piperidinecarbonitrile, 4-hydroxy-1-(phenylmethyl)-, hydrochloride (1:1) Specification

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