Cas no 13658-95-2 (1,3-Propanediamine, N,N-dimethyl-N'-phenyl-)
13658-95-2 structure
Product Name:1,3-Propanediamine, N,N-dimethyl-N'-phenyl-
CAS No:13658-95-2
MF:C11H18N2
MW:178.274022579193
CID:1241287
PubChem ID:547517
Update Time:2025-04-20
1,3-Propanediamine, N,N-dimethyl-N'-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine, N,N-dimethyl-N'-phenyl-
- N',N'-dimethyl-N-phenylpropane-1,3-diamine
- N-Phenyl-N',N'-dimethyl-1,3-propanediamine
- N,N-Dimethyl-N'-phenyl-1,3-propanediamine
- N,N-Dimethyl-N-phenyl-propane-1,3-diamine
- N,N-Dimethyl-N''-phenyl-propane-1,3-diamine
- KHICLGAAEQIDSH-UHFFFAOYSA-N
- 13658-95-2
- N-[.beta.-(N,N-Dimethylamino)propyl]aniline
- SCHEMBL2170344
- AKOS011860582
- N,N-Dimethyl-N'-phenyl-propane-1,3-diamine
- 3-Anilino-1-(dimethylamino)propane
- DTXSID90338203
- BDBM50016921
- CHEMBL139976
-
- Inchi: 1S/C11H18N2/c1-13(2)10-6-9-12-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
- InChI Key: KHICLGAAEQIDSH-UHFFFAOYSA-N
- SMILES: N(C)(C)CCCNC1C=CC=CC=1
Computed Properties
- Exact Mass: 178.14714
- Monoisotopic Mass: 178.146998583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 117
- 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
- Topological Polar Surface Area: 15.3?2
Experimental Properties
- PSA: 15.27
1,3-Propanediamine, N,N-dimethyl-N'-phenyl- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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