Cas no 5634-34-4 (1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1))
5634-34-4 structure
Product Name:1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1)
CAS No:5634-34-4
MF:C11H19N5O3
MW:269.300261735916
CID:369588
PubChem ID:21850
Update Time:2025-04-19
1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1)
- 2-amino-2-methylpropan-1-ol,1,3-dimethyl-7H-purine-2,6-dione
- AMBUPHYLLINE
- Bufylline
- Butaphyllamine
- Buthoid
- EINECS 227-077-5
- Theophylline aminoisobutanol
- 1,3-Dimethyl-7H-purine-2,6-dione 2-amino-2-methylpropan-1-ol
- Bufylline (BAN)
- VOU5V0B772
- AMBUPHYLLINE [MI]
- 1,3-dimethyl-1H-purine-2,6(3H,7H)-dione compound with 2-amino-2-methylpropan-1-ol (1:1)
- 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 2-amino-2-methylpropan-1-ol (1:1)
- 5634-34-4
- HY-105647
- AMBUPHYLLINE [WHO-DD]
- Theophylline compound with 2-amino-2-methyl-1-propanol (1:1)
- KS-1324
- CHEMBL2104089
- SEIRRUDMPNNSCY-UHFFFAOYSA-N
- DB13812
- D02884
- SCHEMBL355316
- Ambuphylline [USAN]
- DTXSID60204880
- CS-0026398
- Butaphyllamine (TN)
- Q4741993
- BUFYLLINE [MART.]
- Ambuphylline (USAN)
- 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 2-amino-2-methylpropan-1-ol
- NS00080967
- UNII-VOU5V0B772
- 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione
- Theophylline-2-aminoisobutanol
- AKOS016340427
-
- Inchi： 1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3
- InChI Key： SEIRRUDMPNNSCY-UHFFFAOYSA-N
- SMILES： OCC(C)(C)N.O=C1C2=C(N=CN2)N(C)C(N1C)=O
Computed Properties
- Exact Mass: 269.14900
- Monoisotopic Mass: 269.14878949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 310
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 116?2
Experimental Properties
- Melting Point: 254-256°
- PSA: 118.93000
- LogP: -0.62340
1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1) Security Information
- Toxicity：LD50 i.v. in rabbits: 163 mg/kg; orally in mice: 600 mg/kg, (Thompson, Warren)
1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Key Organics Ltd | KS-1324-1MG |
Ambuphylline |
5634-34-4 | >97% | 1mg |
￡36.00 | 2025-02-08 | |
| Key Organics Ltd | KS-1324-5MG |
Ambuphylline |
5634-34-4 | >97% | 5mg |
￡42.00 | 2025-02-08 | |
| Key Organics Ltd | KS-1324-10MG |
Ambuphylline |
5634-34-4 | >97% | 10mg |
￡51.00 | 2025-02-08 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1097460-1mg |
Ambuphylline |
5634-34-4 | 98% | 1mg |
￥489.00 | 2024-05-08 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1097460-2mg |
Ambuphylline |
5634-34-4 | 98% | 2mg |
￥464.00 | 2024-05-08 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1097460-5mg |
Ambuphylline |
5634-34-4 | 98% | 5mg |
￥619.00 | 2024-05-08 |
1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1) Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
5634-34-4 (1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1)) Related Products
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