Cas no 948903-72-8 (9H-Purin-2-amine,6-[[3-(aminomethyl)phenyl]methoxy]-)
![9H-Purin-2-amine,6-[[3-(aminomethyl)phenyl]methoxy]- structure](https://ossimg.kuujia.com/scimg/949000/948903-72-8x500.png)
948903-72-8 structure
Product Name:9H-Purin-2-amine,6-[[3-(aminomethyl)phenyl]methoxy]-
CAS No:948903-72-8
MF:C13H14N6O
MW:270.28986120224
CID:796780
Update Time:2022-09-23
9H-Purin-2-amine,6-[[3-(aminomethyl)phenyl]methoxy]- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-2-amine,6-[[3-(aminomethyl)phenyl]methoxy]-
- 9H-Purin-2-amine, 6-[[3-(aminomethyl)phenyl]methoxy]-
-
- Inchi： 1S/C13H14N6O/c14-5-8-2-1-3-9(4-8)6-20-12-10-11(17-7-16-10)18-13(15)19-12/h1-4,7H,5-6,14H2,(H3,15,16,17,18,19)
- InChI Key： VHRDYCCJQBXLBG-UHFFFAOYSA-N
- SMILES： N1C2C(=NC(N)=NC=2OCC2=CC=CC(CN)=C2)NC=1
Computed Properties
- Exact Mass: 270.123
- Monoisotopic Mass: 270.123
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 317
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 116A^2
Experimental Properties
- Density: 1.433±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 158-160 oC
- Solubility: Almost insoluble (0.051 g/l) (25 o C),
9H-Purin-2-amine,6-[[3-(aminomethyl)phenyl]methoxy]- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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