Cas no 17268-33-6 (Benzenepropanamide, a-amino-N-[2-(dimethylamino)ethyl]-,hydrobromide (1:2))
17268-33-6 structure
Product Name:Benzenepropanamide, a-amino-N-[2-(dimethylamino)ethyl]-,hydrobromide (1:2)
CAS No:17268-33-6
MF:C13H22BrN3O
MW:316.237282276154
CID:170153
PubChem ID:24190752
Update Time:2025-04-19
Benzenepropanamide, a-amino-N-[2-(dimethylamino)ethyl]-,hydrobromide (1:2) Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanamide, a-amino-N-[2-(dimethylamino)ethyl]-,hydrobromide (1:2)
- NSC-114219
- N-[2-(Dimethylamino)ethyl]phenylalaninamide--hydrogen bromide (1/1)
- 17268-33-6
- DTXSID60637912
- NSC114219
-
- Inchi: 1S/C13H21N3O.BrH/c1-16(2)9-8-15-13(17)12(14)10-11-6-4-3-5-7-11;/h3-7,12H,8-10,14H2,1-2H3,(H,15,17);1H
- InChI Key: FYOKVRFRTBLMQG-UHFFFAOYSA-N
- SMILES: Br.O=C(C(CC1C=CC=CC=1)N)NCCN(C)C
Computed Properties
- Exact Mass: 235.16863
- Monoisotopic Mass: 315.094625
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 225
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 58.4
Experimental Properties
- Density: 1.059
- Boiling Point: 422.6°Cat760mmHg
- Flash Point: 209.4°C
- Refractive Index: 1.541
- PSA: 58.36
Benzenepropanamide, a-amino-N-[2-(dimethylamino)ethyl]-,hydrobromide (1:2) Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
17268-33-6 (Benzenepropanamide, a-amino-N-[2-(dimethylamino)ethyl]-,hydrobromide (1:2)) Related Products
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