Cas no 23123-80-0 (2-Propyn-1-amine,N,N-diethyl-, hydrochloride (1:1))
23123-80-0 structure
Product Name:2-Propyn-1-amine,N,N-diethyl-, hydrochloride (1:1)
CAS No:23123-80-0
MF:C7H14ClN
MW:147.645761013031
CID:284410
PubChem ID:12233732
Update Time:2025-04-19
2-Propyn-1-amine,N,N-diethyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2-Propyn-1-amine,N,N-diethyl-, hydrochloride (1:1)
- N,N-diethylprop-2-yn-1-amine,hydrochloride
- 2-Propyn-1-amine,N,N-diethyl-, hydrochloride (9CI)
- 2-Propynylamine, N,N-diethyl-, hydrochloride(7CI,8CI)
- N,N-Dimethyl-2-propynylamine hydrochloride
- NSC52888
- 23123-80-0
- N,N-Diethylprop-2-yn-1-amine hydrochloride
- SCHEMBL11773855
- NSC-52888
- DTXSID90945799
- N,N-Diethylprop-2-yn-1-amine--hydrogen chloride (1/1)
-
- Inchi： 1S/C7H13N.ClH/c1-4-7-8(5-2)6-3;/h1H,5-7H2,2-3H3;1H
- InChI Key： MJTCIDWBSKCCKK-UHFFFAOYSA-N
- SMILES： Cl.N(CC#C)(CC)CC
Computed Properties
- Exact Mass: 147.08100
- Monoisotopic Mass: 147.081
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 83.8
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 3.2A^2
Experimental Properties
- PSA: 3.24000
- LogP: 1.76340
2-Propyn-1-amine,N,N-diethyl-, hydrochloride (1:1) Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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