Cas no 918419-40-6 (1,3-Propanediamine, 2-(1,3-benzodioxol-5-yl)-)
918419-40-6 structure
Product Name:1,3-Propanediamine, 2-(1,3-benzodioxol-5-yl)-
CAS No:918419-40-6
MF:C10H14N2O2
MW:194.230362415314
CID:776439
PubChem ID:71427258
Update Time:2025-04-19
1,3-Propanediamine, 2-(1,3-benzodioxol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine, 2-(1,3-benzodioxol-5-yl)-
- 2-(1,3-benzodioxol-5-yl)propane-1,3-diamine
- DTXSID80846004
- 2-(2H-1,3-Benzodioxol-5-yl)propane-1,3-diamine
- 918419-40-6
-
- Inchi： 1S/C10H14N2O2/c11-4-8(5-12)7-1-2-9-10(3-7)14-6-13-9/h1-3,8H,4-6,11-12H2
- InChI Key： DBYKLIWPAVWPHD-UHFFFAOYSA-N
- SMILES： O1COC2=CC=C(C=C12)C(CN)CN
Computed Properties
- Exact Mass: 194.105527694g/mol
- Monoisotopic Mass: 194.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 185
- 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: 0.1
- Topological Polar Surface Area: 70.5?2
1,3-Propanediamine, 2-(1,3-benzodioxol-5-yl)- Related Literature
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
918419-40-6 (1,3-Propanediamine, 2-(1,3-benzodioxol-5-yl)-) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
