Cas no 62659-14-7 (1,4-Butanediamine, N-(3-aminopropyl)-N-propyl-)
62659-14-7 structure
Product Name:1,4-Butanediamine, N-(3-aminopropyl)-N-propyl-
CAS No:62659-14-7
MF:C10H25N3
MW:187.325602293015
CID:436283
PubChem ID:21428684
Update Time:2025-04-19
1,4-Butanediamine, N-(3-aminopropyl)-N-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediamine, N-(3-aminopropyl)-N-propyl-
- N'-(3-aminopropyl)-N'-propylbutane-1,4-diamine
- N~1~-(3-Aminopropyl)-N~1~-propylbutane-1,4-diamine
- 62659-14-7
- SCHEMBL11739216
- DTXSID20613691
-
- Inchi： 1S/C10H25N3/c1-2-8-13(10-5-7-12)9-4-3-6-11/h2-12H2,1H3
- InChI Key： VROUNQCTUDTEKW-UHFFFAOYSA-N
- SMILES： N(CCC)(CCCN)CCCCN
Computed Properties
- Exact Mass: 187.20505
- Monoisotopic Mass: 187.204847810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 96.2
- 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: 0.3
- Topological Polar Surface Area: 55.3?2
Experimental Properties
- PSA: 55.28
1,4-Butanediamine, N-(3-aminopropyl)-N-propyl- Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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