Cas no 62061-49-8 (3H-Purine-3-butanoicacid, a-amino-6-[(3-methyl-2-buten-1-yl)amino]-,(aS)-)
![3H-Purine-3-butanoicacid, a-amino-6-[(3-methyl-2-buten-1-yl)amino]-,(aS)- structure](https://ossimg.kuujia.com/scimg/62500/62061-49-8x500.png)
62061-49-8 structure
Product Name:3H-Purine-3-butanoicacid, a-amino-6-[(3-methyl-2-buten-1-yl)amino]-,(aS)-
CAS No:62061-49-8
MF:C14H20N6O2
MW:304.347601890564
CID:517067
PubChem ID:135398674
Update Time:2025-04-19
3H-Purine-3-butanoicacid, a-amino-6-[(3-methyl-2-buten-1-yl)amino]-,(aS)- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Purine-3-butanoicacid, a-amino-6-[(3-methyl-2-buten-1-yl)amino]-,(aS)-
- 2-amino-4-[6-(3-methylbut-2-enylamino)purin-3-yl]butanoic acid
- discadenine
- 2-amino-4-{6-[(3-methylbut-2-en-1-yl)amino]-3h-purin-3-yl}butanoic acid
- AC1L4XO2
- AC1Q5S8B
- AG-J-54382
- AR-1D8348
- CTK5B4281
- NSC289077
- NSC-289077
- C01804
- 3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine
- 3-(3-amino-3-carboxypropyl)-6-(3-methyl-2-butenylamino)purine
- 62061-49-8
- NSC 289077
- 3-(3-Amino-3-carboxypropyl)-N(6)-delta(2)-isopentenyl-adenine
- alpha-Amino-6-((3-methyl-2-butenyl)amino)-3H-purine-3-butanoic acid
-
- Inchi： 1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10H,4-6,15H2,1-2H3,(H,17,18)(H,21,22)/b16-12-
- InChI Key： VSABNZFZVFUZGA-VBKFSLOCSA-N
- SMILES： OC(C(CCN1C=N/C(/C2=C1N=CN2)=N\C/C=C(\C)/C)N)=O
Computed Properties
- Exact Mass: 304.165
- Monoisotopic Mass: 304.165
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 407
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 123A^2
- XLogP3: -1.8
Experimental Properties
- Density: 1.38
- Boiling Point: 497.5°C at 760 mmHg
- Flash Point: 254.6°C
- Refractive Index: 1.66
- PSA: 115.67
- LogP: 1.77970
3H-Purine-3-butanoicacid, a-amino-6-[(3-methyl-2-buten-1-yl)amino]-,(aS)- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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