Cas no 126-50-1 (Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)-)
126-50-1 structure
Product Name:Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)-
Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)-
- 4-acetyl-4-(2-cyanoethyl)heptanedinitrile
- 1,1,1-Tris-cyanoethylacetone
- EINECS 204-787-3
- USAF B-122
- 3,3',3''-(2-Oxopropylidyne)trispropanenitrile
- NSC-680511
- Heptanedinitrile, 4-acetyl-4-(2-cyanoethyl)-
- 1, 4-acetyl-4-(2-cyanoethyl)-
- AKOS024254548
- 1,1,1-Tris(beta-cyanoethyl)acetone
- NSC 147707
- 126-50-1
- M2YBH5Y6K7
- 1,7-HEPTANEDINITRILE, 4-ACETYL-4-(2-CYANOETHYL)-
- 1,1-Tris(2-cyanoethyl)-2-propanone
- NSC680511
- 1,1,1-Tris(.beta.-cyanoethyl)acetone
- NSC-147707
- NS00041633
- 4-Acetyl-4-(2cyanoethylheptane)dinitrile
- 1,1-Tris(2-cyanoethyl)acetone
- starbld0011199
- 3-03-00-01439 (Beilstein Handbook Reference)
- WLN: NC2XV1 & 2CN & 2CN
- SCHEMBL11509637
- UNII-M2YBH5Y6K7
- Heptane, 4-acetyl-4-(2-cyanoethyl)-1,7-dinitrilo-
- BRN 1782506
- NSC147707
- MFCD01723843
- DTXSID90155038
- 1,1-Tris-cyanoethylacetone
- 1,1,1-Tris(2-cyanoethyl)acetone
- 1,1,1-Tris(2-cyanoethyl)-2-propanone
- NS-02534
- Heptane,7-dinitrilo-
- 1,1-Tris(.beta.-cyanoethyl)acetone
- JEQZAEPYFGSAIF-UHFFFAOYSA-N
-
- Inchi： 1S/C12H15N3O/c1-11(16)12(5-2-8-13,6-3-9-14)7-4-10-15/h2-7H2,1H3
- InChI Key： JEQZAEPYFGSAIF-UHFFFAOYSA-N
- SMILES： O=C(C)C(CCC#N)(CCC#N)CCC#N
Computed Properties
- Exact Mass: 217.12200
- Monoisotopic Mass: 217.121512
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 334
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: -0.1
- Topological Polar Surface Area: 88.4
Experimental Properties
- Density: 1.065
- Boiling Point: 500.7°Cat760mmHg
- Flash Point: 256.6°C
- Refractive Index: 1.474
- PSA: 88.44000
- LogP: 2.47314
Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)- Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1655798-50mg |
4-Acetyl-4-(2-cyanoethyl)heptanedinitrile |
126-50-1 | 98% | 50mg |
￥2950.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1655798-100mg |
4-Acetyl-4-(2-cyanoethyl)heptanedinitrile |
126-50-1 | 98% | 100mg |
￥3166.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1655798-250mg |
4-Acetyl-4-(2-cyanoethyl)heptanedinitrile |
126-50-1 | 98% | 250mg |
￥4988.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1655798-1g |
4-Acetyl-4-(2-cyanoethyl)heptanedinitrile |
126-50-1 | 98% | 1g |
￥7398.00 | 2024-08-09 |
Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)- Related Literature
-
Damir Barisic,Jakob Lebon,C?cilia Maichle-M?ssmer,Reiner Anwander Chem. Commun. 2019 55 7089
-
Sung-Min Kang,Sung-Chan Jang,Yuvaraj Haldorai,A. T. Ezhil Vilian,Muruganantham Rethinasabapathy,Changhyun Roh,Young-Kyu Han,Yun Suk Huh RSC Adv. 2017 7 48374
-
Bertrand Marrot,Chantal Brouca-Cabarrecq,Alain Mosset J. Mater. Chem. 1996 6 789
-
4. The kinetics of hydrogen abstraction by difluoroamino-radicals, from propionaldehyde, and n- and iso-butyraldehyde, and their acyl radical decompositionsP. Cadman,C. Dodwell,A. F. Trotman-Dickenson,A. J. White J. Chem. Soc. A 1970 2371
-
5. Photochemical preparation of the cis isomers of dichlorobis(tri-n-alkyl-phosphine)palladium(II)(alkyl = Et, Prn, or Bun); the crystal-structure analysis of the overcrowded n-propyl homologueNathaniel W. Alcock,Terence J. Kemp,Franz L. Wimmer J. Chem. Soc. Dalton Trans. 1981 635
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