Cas no 874813-66-8 (1,3-Propanediamine, N-(phenylmethyl)-N-propyl-)
874813-66-8 structure
Product Name:1,3-Propanediamine, N-(phenylmethyl)-N-propyl-
CAS No:874813-66-8
MF:C13H22N2
MW:206.327183246613
CID:1906898
PubChem ID:43137297
Update Time:2025-04-21
1,3-Propanediamine, N-(phenylmethyl)-N-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine, N-(phenylmethyl)-N-propyl-
- N'-benzyl-N'-propylpropane-1,3-diamine
- A1-38865
- SCHEMBL22771183
- N1-benzyl-N1-propylpropane-1,3-diamine
- 874813-66-8
-
- Inchi： 1S/C13H22N2/c1-2-10-15(11-6-9-14)12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,14H2,1H3
- InChI Key： RPCAZXDMNFBHKB-UHFFFAOYSA-N
- SMILES： N(CC1C=CC=CC=1)(CCC)CCCN
Computed Properties
- Exact Mass: 206.178298710Da
- Monoisotopic Mass: 206.178298710Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 141
- 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: 2.1
- Topological Polar Surface Area: 29.3?2
1,3-Propanediamine, N-(phenylmethyl)-N-propyl- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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