Cas no 14447-16-6 (Acetic acid, 2-cyano-,1-methylpropyl ester)
14447-16-6 structure
Product Name:Acetic acid, 2-cyano-,1-methylpropyl ester
CAS No:14447-16-6
MF:C7H11NO2
MW:141.167742013931
CID:212969
PubChem ID:85736
Update Time:2025-04-19
Acetic acid, 2-cyano-,1-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, 2-cyano-,1-methylpropyl ester
- 1-methylpropylcyanoacetate
- butan-2-yl 2-cyanoacetate
- Cyanessigsaeure-sek.-butylester
- EINECS 238-425-0
- s-Butyl cyanoacetate
- sec-butyl cyanoacetate
- sek.-Butylcyanacetat
- Cyanoacetic acid sec-butyl ester
- Cyanoacetic acid 1-methylpropyl ester
- Acetic acid, cyano-, 1-Methylpropyl ester
- SCHEMBL1336184
- DTXSID20932319
- NS00054167
- 1-Methylpropyl cyanoacetate
- Butan-2-yl cyanoacetate
- 14447-16-6
-
- Inchi： 1S/C7H11NO2/c1-3-6(2)10-7(9)4-5-8/h6H,3-4H2,1-2H3
- InChI Key： IIVQCYBAMCISPI-UHFFFAOYSA-N
- SMILES： O(C(CC#N)=O)C(C)CC
Computed Properties
- Exact Mass: 141.07900
- Monoisotopic Mass: 141.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 156
- 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
- Topological Polar Surface Area: 50.1A^2
- XLogP3: 1.3
Experimental Properties
- Density: 0.998
- Boiling Point: 201.7°Cat760mmHg
- Flash Point: 82.9°C
- Refractive Index: 1.424
- PSA: 50.09000
- LogP: 1.24178
Acetic acid, 2-cyano-,1-methylpropyl ester 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%
Acetic acid, 2-cyano-,1-methylpropyl ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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