Cas no 70021-01-1 (1,2-Propanediamine, 3-(6-amino-9H-purin-9-yl)-)
70021-01-1 structure
Product Name:1,2-Propanediamine, 3-(6-amino-9H-purin-9-yl)-
CAS No:70021-01-1
MF:C8H13N7
MW:207.235719442368
CID:547806
PubChem ID:12486338
Update Time:2025-04-19
1,2-Propanediamine, 3-(6-amino-9H-purin-9-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediamine, 3-(6-amino-9H-purin-9-yl)-
- 3-(6-aminopurin-9-yl)propane-1,2-diamine
- CHEMBL3250906
- 9-[(RS)-2,3-Diaminopropyl]adenine
- 70021-01-1
- 3-(6-Amino-9H-purin-9-yl)propane-1,2-diamine
- DTXSID30500043
-
- Inchi： 1S/C8H13N7/c9-1-5(10)2-15-4-14-6-7(11)12-3-13-8(6)15/h3-5H,1-2,9-10H2,(H2,11,12,13)
- InChI Key： DOKBSHRTEOYKAK-UHFFFAOYSA-N
- SMILES： N1(C=NC2=C(N)N=CN=C12)CC(CN)N
Computed Properties
- Exact Mass: 207.12349
- Monoisotopic Mass: 207.12324344g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 211
- 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: -2
- Topological Polar Surface Area: 122?2
Experimental Properties
- PSA: 121.66
1,2-Propanediamine, 3-(6-amino-9H-purin-9-yl)- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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