Cas no 200281-41-0 (Benzenemethanamine,3-amino-4-ethyl-)
200281-41-0 structure
Product Name:Benzenemethanamine,3-amino-4-ethyl-
CAS No:200281-41-0
MF:C9H14N2
MW:150.220861911774
CID:240698
PubChem ID:45078708
Update Time:2025-04-19
Benzenemethanamine,3-amino-4-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine,3-amino-4-ethyl-
- Benzenemethanamine, 3-amino-4-ethyl- (9CI)
- 5-(aminomethyl)-2-ethylaniline
- DTXSID70663606
- 200281-41-0
- Benzenemethanamine,3-amino-4-ethyl-(9ci)
-
- Inchi: 1S/C9H14N2/c1-2-8-4-3-7(6-10)5-9(8)11/h3-5H,2,6,10-11H2,1H3
- InChI Key: GPMKFLWXSPKQDQ-UHFFFAOYSA-N
- SMILES: NC1C=C(CN)C=CC=1CC
Computed Properties
- Exact Mass: 150.11582
- Monoisotopic Mass: 150.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 114
- 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
- Topological Polar Surface Area: 52A^2
- XLogP3: 0.9
Experimental Properties
- PSA: 52.04
Benzenemethanamine,3-amino-4-ethyl- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
200281-41-0 (Benzenemethanamine,3-amino-4-ethyl-) Related Products
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