Cas no 23513-76-0 (9H-Purine-9-propanoicacid, a,6-diamino-)
23513-76-0 structure
Product Name:9H-Purine-9-propanoicacid, a,6-diamino-
CAS No:23513-76-0
MF:C8H10N6O2
MW:222.203999996185
CID:291385
PubChem ID:289647
Update Time:2025-04-19
9H-Purine-9-propanoicacid, a,6-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine-9-propanoicacid, a,6-diamino-
- 3-(6-Amino-9H-purin-9-yl)alanine
- 3-(Adenin-9-yl)-(RS)-alanine
- alanine, 3-(6-amino-9H-purin-9-yl)-
- SCHEMBL2270408
- 9-(2'-amino-2'-carboxy-ethyl)adenine
- VS-09216
- NSC151832
- ZNLYVNWXRJEZDN-UHFFFAOYSA-N
- 22892-24-6
- 2-Amino-3-(6-amino-purin-9-yl)-propionic acid
- NSC-151832
- 3-(6-Amino-9H-purin-9-yl)alanine #
- CHEMBL569487
- 23513-76-0
- 2-amino-3-(6-amino-9H-purin-9-yl)propanoic acid
- 2-amino-3-(6-aminopurin-9-yl)propanoic acid
- 2-amino-3-(6-amino-9H-purin-9-yl)propanoicacid
- AKOS014779404
-
- Inchi： 1S/C8H10N6O2/c9-4(8(15)16)1-14-3-13-5-6(10)11-2-12-7(5)14/h2-4H,1,9H2,(H,15,16)(H2,10,11,12)
- InChI Key： ZNLYVNWXRJEZDN-UHFFFAOYSA-N
- SMILES： OC(C(CN1C=NC2=C(N)N=CN=C12)N)=O
Computed Properties
- Exact Mass: 222.0867
- Monoisotopic Mass: 222.086524
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 275
- 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
- XLogP3: _3.7
- Topological Polar Surface Area: 133
Experimental Properties
- Density: 1.89
- Boiling Point: 562.1°Cat760mmHg
- Flash Point: 293.8°C
- Refractive Index: 1.861
- PSA: 132.94
- LogP: 0.10190
9H-Purine-9-propanoicacid, a,6-diamino- Related Literature
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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