Cas no 34396-82-2 (6H-Purin-6-one,2-amino-1,9-dihydro-9-undecyl-)
34396-82-2 structure
Product Name:6H-Purin-6-one,2-amino-1,9-dihydro-9-undecyl-
CAS No:34396-82-2
MF:C16H27N5O
MW:305.418483018875
CID:322270
PubChem ID:135431358
Update Time:2025-04-19
6H-Purin-6-one,2-amino-1,9-dihydro-9-undecyl- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,2-amino-1,9-dihydro-9-undecyl-
- 2-amino-9-undecyl-3H-purin-6-one
- 2-amino-9-undecyl-1,9-dihydro-purin-6-one
- 2-amino-9-undecyl-3,9-dihydro-6h-purin-6-one
- AC1L5NKK
- AC1Q6IAQ
- AG-J-79397
- AR-1D8751
- CTK4H2325
- NSC29592
- NSC-29592
- 2-Amino-9-undecyl-1H-purin-6(9H)-one
- DTXSID90283082
- 34396-82-2
-
- Inchi： 1S/C16H27N5O/c1-2-3-4-5-6-7-8-9-10-11-21-12-18-13-14(21)19-16(17)20-15(13)22/h12H,2-11H2,1H3,(H3,17,19,20,22)
- InChI Key： QUOXNHNPDLKNBS-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=C(N)N1)N(C=N2)CCCCCCCCCCC
Computed Properties
- Exact Mass: 305.22181
- Monoisotopic Mass: 305.222
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 10
- Complexity: 385
- 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: 4.2
- Topological Polar Surface Area: 85.3?2
Experimental Properties
- Density: 1.21
- Boiling Point: 520.9°Cat760mmHg
- Flash Point: 268.8°C
- Refractive Index: 1.607
- PSA: 85.3
- LogP: 3.81380
6H-Purin-6-one,2-amino-1,9-dihydro-9-undecyl- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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