2H-Pyran-4-carboxylicacid, 4-aminotetrahydro- supplier

Name
4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID
EINECS
CAS No. 39124-20-4
Article Data10
CAS DataBase
Density 1.254 g/cm³
Solubility
Melting Point
Formula C₆H₁₁NO₃
Boiling Point 299.4 °C at 760 mmHg
Molecular Weight 145.158
Flash Point 134.9 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Amino-4-tetrahydropyrancarboxylicacid;4-Aminotetrahydro-2H-pyran-4-carboxylic acid;4-Amino-tetrahydro-pyran-4-carboxylic acid;
PSA 72.55000
LogP 0.27920

2H-Pyran-4-carboxylicacid, 4-aminotetrahydro- Specification

The CAS register number of 2H-Pyran-4-carboxylicacid, 4-aminotetrahydro- is 39124-20-4. It also can be called as 4-Amino-tetrahydro-pyran-4-carboxylic acid and the IUPAC name about this chemical is 4-aminooxane-4-carboxylic acid. The molecular formula about this chemical is C₆H₁₁NO₃ and the molecular weight is 145.16. It belongs to the following product categories which include pharmacetical; Carboxylic Acids; Pyrans, Piperidines & Piperazines; Carboxylic Acids; Pyrans, Piperidines & Piperazines and so on.

Physical properties about 2H-Pyran-4-carboxylicacid, 4-aminotetrahydro- are: (1)ACD/LogP: -0.79; (2)ACD/LogD (pH 5.5): -3.29; (3)ACD/LogD (pH 7.4): -3.3; (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: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 38.77 Å²; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 34.22 cm³; (14)Molar Volume: 115.7 cm³; (15)Polarizability: 13.56x10^-24cm³; (16)Surface Tension: 50.9 dyne/cm; (17)Density: 1.254 g/cm³; (18)Flash Point: 134.9 °C; (19)Enthalpy of Vaporization: 59.34 kJ/mol; (20)Boiling Point: 299.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000282 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1(N)CCOCC1
(2)InChI: InChI=1/C6H11NO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4,7H2,(H,8,9)
(3)InChIKey: DPDPQQHHTHKSRN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H11NO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4,7H2,(H,8,9)
(5)Std. InChIKey: DPDPQQHHTHKSRN-UHFFFAOYSA-N

Product Name

4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID

2H-Pyran-4-carboxylicacid, 4-aminotetrahydro- Specification

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