Cas no 744138-96-3 (Benzenemethanamine,5-amino-N,2-dimethyl-)
744138-96-3 structure
Product Name:Benzenemethanamine,5-amino-N,2-dimethyl-
CAS No:744138-96-3
MF:C9H14N2
MW:150.220861911774
CID:560547
PubChem ID:45078677
Update Time:2025-04-19
Benzenemethanamine,5-amino-N,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine,5-amino-N,2-dimethyl-
- Benzenemethanamine, 5-amino-N,2-dimethyl- (9CI)
- 4-methyl-3-(methylaminomethyl)aniline
- SCHEMBL10061642
- 4-Methyl-3-[(methylamino)methyl]aniline
- DTXSID80663596
- 744138-96-3
- Benzenemethanamine,5-amino-N,2-dimethyl-(9ci)
-
- Inchi： 1S/C9H14N2/c1-7-3-4-9(10)5-8(7)6-11-2/h3-5,11H,6,10H2,1-2H3
- InChI Key： BETJQPLVMIOYFC-UHFFFAOYSA-N
- SMILES： N(C)CC1C=C(C=CC=1C)N
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: 38A^2
- XLogP3: 1
Experimental Properties
- PSA: 38.05
Benzenemethanamine,5-amino-N,2-dimethyl- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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