Cas no 76721-87-4 (1H-Imidazole-4-ethanamine,N,a-dimethyl-, (aR)- (9CI))
76721-87-4 structure
Product Name:1H-Imidazole-4-ethanamine,N,a-dimethyl-, (aR)- (9CI)
CAS No:76721-87-4
MF:C7H13N3
MW:139.198220968246
CID:563615
PubChem ID:5492510
Update Time:2025-04-19
1H-Imidazole-4-ethanamine,N,a-dimethyl-, (aR)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-4-ethanamine,N,a-dimethyl-, (aR)- (9CI)
- 1-(1H-imidazol-5-yl)-N-methylpropan-2-amine
- alpha,N(alpha)-dimethylhistamine
- 76721-87-4
- DTXSID80998037
-
- Inchi： 1S/C7H13N3/c1-6(8-2)3-7-4-9-5-10-7/h4-6,8H,3H2,1-2H3,(H,9,10)/t6-/m1/s1
- InChI Key： BQWFLRWCZCMTOU-ZCFIWIBFSA-N
- SMILES： N(C)[C@H](C)CC1=CN=CN1
Computed Properties
- Exact Mass: 139.110947
- Monoisotopic Mass: 139.110947
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 94.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.7
- XLogP3: 0.4
Experimental Properties
- Density: 1.023
- Boiling Point: 307.9°C at 760 mmHg
- Flash Point: 140°C
- Refractive Index: 1.517
1H-Imidazole-4-ethanamine,N,a-dimethyl-, (aR)- (9CI) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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