Cas no 444199-08-0 (4,5,6,7-tetrahydro-2H-Isoindole-5-methanamine)
444199-08-0 structure
Product Name:4,5,6,7-tetrahydro-2H-Isoindole-5-methanamine
CAS No:444199-08-0
MF:C9H14N2
MW:150.220861911774
CID:929492
PubChem ID:12973048
Update Time:2025-04-19
4,5,6,7-tetrahydro-2H-Isoindole-5-methanamine Chemical and Physical Properties
Names and Identifiers
-
- 4,5,6,7-tetrahydro-2H-Isoindole-5-methanamine
- 2h-isoindole-5-methanamine,4,5,6,7-tetrahydro-
- 444199-08-0
- SCHEMBL4425472
- (4,5,6,7-Tetrahydro-2H-isoindol-5-yl)methanamine
- AKOS006331811
-
- Inchi： 1S/C9H14N2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h5-7,11H,1-4,10H2
- InChI Key： AHQVWVILFQJKSM-UHFFFAOYSA-N
- SMILES： N1C=C2C(=C1)CC(CN)CC2
Computed Properties
- Exact Mass: 150.11600
- Monoisotopic Mass: 150.115698455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 136
- 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
- XLogP3: 0.7
- Topological Polar Surface Area: 41.8?2
Experimental Properties
- PSA: 41.81000
- LogP: 1.77860
4,5,6,7-tetrahydro-2H-Isoindole-5-methanamine Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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