Basic information
- Name:
4-Piperidinecarboxylicacid, 1-formyl-
- CAS No.:
84163-42-8
- Molecular Structure:
- Formula:
- C7H11NO3
- Molecular Weight:
- 157.17
- Synonyms:
- Isonipecoticacid, 1-formyl- (6CI);1-Formylisonipecotic acid;N-Formylisonipecotic acid;
- Density:
- 1.35 g/cm3
- Melting Point:
- 137-138 °C
- Boiling Point:
- 377.8 °C at 760 mmHg
- Flash Point:
- 182.3 °C
- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36/37/39 Details
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Specification
The 4-Piperidinecarboxylicacid, 1-formyl- is an organic compound with the formula C7H11NO3. The IUPAC name of this chemical is 1-formylpiperidine-4-carboxylic acid. With the CAS registry number 84163-42-8, it is also named as 1-Formyl-piperidine-4-carboxylic acid. The product's categories are Aldehyde; Carboxylic Acids; Pyrans, Piperidines & Piperazines; Carboxylic Acids; Pyrans, Piperidines & Piperazines.
Physical properties about 4-Piperidinecarboxylicacid, 1-formyl- are: (1)ACD/LogP: -0.77; (2)ACD/LogD (pH 5.5): -1.81; (3)ACD/LogD (pH 7.4): -3.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 39.34 cm3; (14)Molar Volume: 116.3 cm3; (15)Polarizability: 15.59×10-24cm3; (16)Surface Tension: 69.6 dyne/cm; (17)Density: 1.35 g/cm3; (18)Flash Point: 182.3 °C; (19)Enthalpy of Vaporization: 68.7 kJ/mol; (20)Boiling Point: 377.8 °C at 760 mmHg; (21)Vapour Pressure: 9.43E-07 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. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CN1CCC(C(=O)O)CC1
(2)InChI: InChI=1/C7H11NO3/c9-5-8-3-1-6(2-4-8)7(10)11/h5-6H,1-4H2,(H,10,11)
(3)InChIKey: IZNTWTMLHCGAJU-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H11NO3/c9-5-8-3-1-6(2-4-8)7(10)11/h5-6H,1-4H2,(H,10,11)
(5)Std. InChIKey: IZNTWTMLHCGAJU-UHFFFAOYSA-N
