Cas no 25450-90-2 (1,3-Propanediol,2-sec-butyl-2-ethyl-, dicarbamate (8CI))
25450-90-2 structure
Product Name:1,3-Propanediol,2-sec-butyl-2-ethyl-, dicarbamate (8CI)
CAS No:25450-90-2
MF:C11H22N2O4
MW:246.303383350372
CID:254871
PubChem ID:117240
Update Time:2025-04-19
1,3-Propanediol,2-sec-butyl-2-ethyl-, dicarbamate (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-sec-butyl-2-ethyl-, dicarbamate (8CI)
- azane,ethyl dihydrogen phosphate
- 1,3-propanediol, 2-ethyl-2-(1-methylpropyl)-, dicarbamate
- 2-[(Carbamoyloxy)methyl]-2-ethyl-3-methylpentyl carbamate
- 25450-90-2
- 2-sec-Butyl-2-ethyl-1,3-propanediol dicarbamate
- BRN 2971305
- 1,3-Propanediol, 2-sec-butyl-2-ethyl-, dicarbamate
-
- Inchi： 1S/C11H22N2O4/c1-4-8(3)11(5-2,6-16-9(12)14)7-17-10(13)15/h8H,4-7H2,1-3H3,(H2,12,14)(H2,13,15)
- InChI Key： GPTQBJOBBYXFDM-UHFFFAOYSA-N
- SMILES： O(C(N)=O)CC(COC(N)=O)(CC)C(C)CC
Computed Properties
- Exact Mass: 246.158
- Monoisotopic Mass: 246.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 9
- Complexity: 250
- 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: 1.7
- Topological Polar Surface Area: 105?2
Experimental Properties
- Density: 1.095
- Boiling Point: 444.3°C at 760 mmHg
- Flash Point: 211°C
- Refractive Index: 1.477
- PSA: 83.05000
- LogP: 0.76340
1,3-Propanediol,2-sec-butyl-2-ethyl-, dicarbamate (8CI) Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
25450-90-2 (1,3-Propanediol,2-sec-butyl-2-ethyl-, dicarbamate (8CI)) Related Products
- 37203-76-2(Ethyl Phosphate)
- 78-40-0(Triethyl phosphate)
- 598-02-7(Phosphoric Acid Diethyl Ester)
- 1623-14-9(ethyl dihydrogen phosphate)
- 1892-26-8(2-Hydroxyethyl Phosphate)
- 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)
Recommended suppliers
SunaTech Inc.
Gold Member
Audited Supplier
CN Supplier
Reagent
Nanjing Jubai Biopharm
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
