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9H-Purin-6-amine,N-(2-furanylmethyl)-, hydrochloride (1:1)

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9H-Purin-6-amine,N-(2-furanylmethyl)-, hydrochloride (1:1)

EINECS 208-382-2
CAS No. 177966-68-6 Density
Solubility Melting Point 269-271℃
Formula C10H9N5O.ClH Boiling Point 524.4 °C at 760 mmHg
Molecular Weight 251.67 Flash Point 270.9 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 177966-68-6 (9H-Purin-6-amine,N-(2-furanylmethyl)-, hydrochloride (1:1)) Hazard Symbols
Synonyms

1H-Purin-6-amine,N-(2-furanylmethyl)-, monohydrochloride (9CI);

 

9H-Purin-6-amine,N-(2-furanylmethyl)-, hydrochloride (1:1) Specification

This chemical is called 9H-Purin-6-amine,N-(2-furanylmethyl)-, hydrochloride (1:1), and its systematic name is N-(furan-2-ylmethyl)-7H-purin-6-amine hydrochloride. With the molecular formula of C10H10ClN5O, its molecular weight is 251.67. The CAS registry number of the chemical is 177966-68-6. 

Other characteristics of 9H-Purin-6-amine,N-(2-furanylmethyl)-, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: -0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): -0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.4; (8)ACD/KOC (pH 7.4): 16.3; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 59.98 Å2; (13)Flash Point: 270.9 °C; (14)Enthalpy of Vaporization: 79.83 kJ/mol; (15)Boiling Point: 524.4 °C at 760 mmHg; (16)Vapour Pressure: 4.32E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.n2c(NCc1occc1)c3ncnc3nc2
2.InChI: InChI=1/C10H9N5O.ClH/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;/h1-3,5-6H,4H2,(H2,11,12,13,14,15);1H
3.InChIKey: YKKPHTIEFMEGGL-UHFFFAOYAM
4.Std. InChI: InChI=1S/C10H9N5O.ClH/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;/h1-3,5-6H,4H2,(H2,11,12,13,14,15);1H
5.Std. InChIKey: YKKPHTIEFMEGGL-UHFFFAOYSA-N

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