CAS No.948-60-7,Pterin-6-carboxylic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	948-60-7
Name:	Pterin-6-carboxylic acid
Article Data:	32

Formula:	C₇H₅ N₅ O₃
Molecular Weight:	207.148
Synonyms:	6-Pteridinecarboxylicacid, 2-amino-1,4-dihydro-4-oxo- (8CI,9CI);6-Pteridinecarboxylic acid,2-amino-4-hydroxy- (6CI);6-Carboxypterin;NSC 96893;Pterin-6-carboxylic acid;Ranachrome 5;
EINECS:	213-435-8
Density:	2.16 g/cm³
Melting Point:	300 °C (approx, decomp)
Boiling Point:	608.7 °C at 760 mmHg
Flash Point:	322 °C
Safety:	22-24/25
PSA:	134.85000
LogP:	-0.42530

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Specification

The Pterin-6-carboxylic acid with cas registry number of 948-60-7, is also called 6-Pteridinecarboxylicacid, 2-amino-1,4-dihydro-4-oxo- (8CI,9CI) ; 6-Pteridinecarboxylic acid,2-amino-4-hydroxy- (6CI) .

Physical properties of Pterin-6-carboxylic acid :(1)ACD/LogP: -2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.45; (4)ACD/LogD (pH 7.4): -6.11; (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: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 87.99 Å²; (13)Index of Refraction: 1.954; (14)Molar Refractivity: 46.39 cm³; (15)Molar Volume: 95.7 cm³; (16)Polarizability: 18.39×10-24cm³; (17)Surface Tension: 121.9 dyne/cm; (18)Enthalpy of Vaporization: 95.09 kJ/mol; (19)Vapour Pressure: 1.13E-15 mmHg at 25°C .

When you are using this chemical, please be cautious about it as the following:
The Pterin-6-carboxylic acid is also harmful by inhalation and if swallowed. So avoid to breathe dust.When use it, avoid contact with skin and eyes.

Its storage temperature is 2-8°C.

You can still convert the following datas into molecular structure: (1)SMILES:O=C(O)c1nc2c(nc1)N/C(=N\C2=O)N; (2)InChI:InChI=1/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13); (3)InChIKey:QABAUCFGPWONOG-UHFFFAOYAV; (4)Std. InChI:InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13); (5)Std. InChIKey:QABAUCFGPWONOG-UHFFFAOYSA-N.