1-Methylpiperidine-4-carboxylic acid hydrochloride (1:1) supplier

Name
1-METHYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
EINECS
CAS No. 71985-80-3
Article Data7
CAS DataBase
Density
Solubility
Melting Point 226-228°C (dec.)
Formula C₇H₁₃NO₂.ClH
Boiling Point 246.1 °C at 760 mmHg
Molecular Weight 179.647
Flash Point 102.6 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms N-Methylpiperidine-4-carboxylic acid hydrochloride;
PSA 40.54000
LogP 1.15270

1-Methylpiperidine-4-carboxylic acid hydrochloride (1:1) Specification

This chemical is called 1-Methylpiperidine-4-carboxylic acid hydrochloride (1:1), and its systematic name is 4-carboxy-1-methylpiperidinium chloride. With the molecular formula of C₇H₁₃NO₂.ClH, its molecular weight is 179.64. The CAS registry number of this chemical is 71985-80-3. Additionally, its product category is Piperidine.

Other characteristics of the 1-Methylpiperidine-4-carboxylic acid hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.19; (4)ACD/LogD (pH 7.4): -2.19; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Flash Point: 102.6 °C; (14)Enthalpy of Vaporization: 53.21 kJ/mol; (15)Boiling Point: 246.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00899 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when 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-].O=C(O)C1CC[NH+](C)CC1
2.InChI: InChI=1/C7H13NO2.ClH/c1-8-4-2-6(3-5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
3.InChIKey: NLUDEWJJEMHIIL-UHFFFAOYAW

Product Name

1-METHYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE

1-Methylpiperidine-4-carboxylic acid hydrochloride (1:1) Specification

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