Cas no 87986-24-1 (Benzenamine, 3-methyl-4-propyl-)
87986-24-1 structure
Product Name:Benzenamine, 3-methyl-4-propyl-
CAS No:87986-24-1
MF:C10H15N
MW:149.232802629471
CID:649574
PubChem ID:55288604
Update Time:2025-04-19
Benzenamine, 3-methyl-4-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 3-methyl-4-propyl-
- 3-methyl-4-propylaniline
- AKOS006359891
- SCHEMBL7747248
- DTXSID90717534
- 87986-24-1
-
- Inchi： 1S/C10H15N/c1-3-4-9-5-6-10(11)7-8(9)2/h5-7H,3-4,11H2,1-2H3
- InChI Key： MDHZXPXDZRWSEU-UHFFFAOYSA-N
- SMILES： NC1C=CC(=C(C)C=1)CCC
Computed Properties
- Exact Mass: 149.120449483g/mol
- Monoisotopic Mass: 149.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 111
- 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
- XLogP3: 3.2
- Topological Polar Surface Area: 26?2
Benzenamine, 3-methyl-4-propyl- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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