Cas no 143347-17-5 (1-Butanamine,N-methyl-N-2-propyn-1-yl-, hydrochloride (1:1))
143347-17-5 structure
Product Name:1-Butanamine,N-methyl-N-2-propyn-1-yl-, hydrochloride (1:1)
CAS No:143347-17-5
MF:C8H16ClN
MW:161.672341346741
CID:164406
PubChem ID:3072561
Update Time:2025-04-19
1-Butanamine,N-methyl-N-2-propyn-1-yl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanamine,N-methyl-N-2-propyn-1-yl-, hydrochloride (1:1)
- N-methyl-N-prop-2-ynylbutan-1-amine,hydrochloride
- 143347-17-5
- CHEMBL538279
- SCHEMBL5617623
- DTXSID20162396
- 1-Butanamine, N-methyl-N-2-propynyl-, hydrochloride
- PD134741
- N-(1-Butyl)-N-methylpropargylamine hydrochloride
- N-Methyl-N-2-propynyl-1-butanamine hydrochloride
-
- Inchi: 1S/C8H15N.ClH/c1-4-6-8-9(3)7-5-2;/h2H,4,6-8H2,1,3H3;1H
- InChI Key: WEYNGLFGYAZCEZ-UHFFFAOYSA-N
- SMILES: Cl.N(C)(CC#C)CCCC
Computed Properties
- Exact Mass: 161.09728
- Monoisotopic Mass: 161.097
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 98.4
- 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: 3.2?2
Experimental Properties
- Boiling Point: 159.5°Cat760mmHg
- Flash Point: 42.7°C
- PSA: 3.24
1-Butanamine,N-methyl-N-2-propyn-1-yl-, hydrochloride (1:1) Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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