Cas no 61789-70-6 (Benzenemethanaminium, N-(3-aminopropyl)-N,N-dimethyl-, N-coco acyl derivs., chlorides)
61789-70-6 structure
Product Name:Benzenemethanaminium, N-(3-aminopropyl)-N,N-dimethyl-, N-coco acyl derivs., chlorides
CAS No:61789-70-6
MF:C12H21N2
MW:193.308542966843
CID:1629721
PubChem ID:6454278
Update Time:2025-04-21
Benzenemethanaminium, N-(3-aminopropyl)-N,N-dimethyl-, N-coco acyl derivs., chlorides Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanaminium, N-(3-aminopropyl)-N,N-dimethyl-, N-coco acyl derivs., chlorides
- 3-amino-N-benzyl-N,N-dimethylpropan-1-aminium
- 3-aminopropyl-benzyl-dimethylazanium
- EINECS 263-079-2
- 61789-70-6
- NS00124324
- SCHEMBL7645494
- DTXSID90866874
-
- Inchi： 1S/C12H21N2/c1-14(2,10-6-9-13)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,13H2,1-2H3/q+1
- InChI Key： PFMHXSKWMSCZAH-UHFFFAOYSA-N
- SMILES： [N+](C)(C)(CC1C=CC=CC=1)CCCN
Computed Properties
- Exact Mass: 193.170473678g/mol
- Monoisotopic Mass: 193.170473678g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 148
- 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: 1.2
- Topological Polar Surface Area: 26?2
Benzenemethanaminium, N-(3-aminopropyl)-N,N-dimethyl-, N-coco acyl derivs., chlorides Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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