Cas no 1131-83-5 (Benzamide, N-(2-cyanoethyl)-)
Benzamide, N-(2-cyanoethyl)- structure
Product Name:Benzamide, N-(2-cyanoethyl)-
CAS No:1131-83-5
MF:C10H10N2O
MW:174.199202060699
CID:237396
PubChem ID:284729
Update Time:2025-04-19
Benzamide, N-(2-cyanoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, N-(2-cyanoethyl)-
- N-(2-cyanoethyl)benzamide
- 3-(Benzoylamino)propansaeurenitril
- 3-(benzoylamino)propionitrile
- 3-(N-benzoylamino)propionitrile
- AC1L61IF
- AC1Q5P1B
- AR-1J7872
- CTK0I4290
- N-benzoyl-aminoethylcyanide
- NSC140908
- SureCN3455667
- SCHEMBL3455667
- AKOS008980726
- NSC-140908
- 1131-83-5
- DTXSID90301073
- GHZZJXFHIHMNSY-UHFFFAOYSA-N
-
- Inchi： 1S/C10H10N2O/c11-7-4-8-12-10(13)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2,(H,12,13)
- InChI Key： GHZZJXFHIHMNSY-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)NCCC#N
Computed Properties
- Exact Mass: 174.0794
- Monoisotopic Mass: 174.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 210
- 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: 0.7
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- Density: 1.115
- Boiling Point: 434.9°Cat760mmHg
- Flash Point: 216.8°C
- Refractive Index: 1.54
- PSA: 52.89
- LogP: 1.72098
Benzamide, N-(2-cyanoethyl)- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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