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1H-Purin-6-amine-8-14C(9CI)

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Name

1H-Purin-6-amine-8-14C(9CI)

EINECS N/A
CAS No. 5019-49-8 Density 1.612g/cm3
PSA 80.48000 LogP 0.51630
Solubility N/A Melting Point N/A
Formula C5H5N5 Boiling Point N/A
Molecular Weight 137.14 Flash Point N/A
Transport Information UN 2910 7 Appearance aqueous ethanol solution
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5019-49-8 (ADENINE-8-14C) Hazard Symbols R
Synonyms

Adenine-8-14C(6CI,8CI);Adenine-8-14C (7CI);

 

1H-Purin-6-amine-8-14C(9CI) Specification

The CAS register number of 1H-Purin-6-amine-8-14C(9CI) is 5019-49-8. It also can be called as Adenine-8-14C(6CI,8CI) and the IUPAC name about this chemical is 7H-purin-6-amine. The molecular formula about this chemical is C5H5N5 and the molecular weight is 137.14.

Physical properties about 1H-Purin-6-amine-8-14C(9CI) are: (1)Index of Refraction: 1.837; (2)Molar Refractivity: 37.03 cm3; (3)Molar Volume: 83.8 cm3; (4)Polarizability: 14.68x10-24cm3; (5)Surface Tension: 122.7 dyne/cm; (6)Density: 1.612 g/cm3; (7)Heavy Atom Count: 10; (8)Complexity: 127; (9)Isotope Atom Count: 1; (10)Covalently-Bonded Unit Count: 1; (11)Feature 3D Donor Count: 2; (12)Feature 3D Cation Count: 4; (13)Feature 3D Ring Count: 2; (14)Conformer Sampling RMSD: 0.4; (15)CID Conformer Count: 1.

You can still convert the following datas into molecular structure:
(1)SMILES: c1[nH]c2c(ncnc2n1)N
(2)InChI: InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)/i1+2
(3)InChIKey: GFFGJBXGBJISGV-NJFSPNSNEH
(4)Std. InChI: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)/i1+2
(5)Std. InChIKey: GFFGJBXGBJISGV-NJFSPNSNSA-N

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