Cas no 99838-22-9 (2-Propen-1-amine,N,N-dimethyl-3-phenyl-, hydrochloride, (Z)- (9CI))
99838-22-9 structure
Product Name:2-Propen-1-amine,N,N-dimethyl-3-phenyl-, hydrochloride, (Z)- (9CI)
CAS No:99838-22-9
MF:C11H16ClN
MW:197.704442024231
CID:813290
PubChem ID:6442579
Update Time:2025-04-19
2-Propen-1-amine,N,N-dimethyl-3-phenyl-, hydrochloride, (Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Propen-1-amine,N,N-dimethyl-3-phenyl-, hydrochloride, (Z)- (9CI)
- (Z)-N,N-dimethyl-3-phenylprop-2-en-1-amine,hydrochloride
- 99838-22-9
- 2-Propen-1-amine, N,N-dimethyl-3-phenyl-, hydrochloride, (Z)-
-
- Inchi： 1S/C11H15N.ClH/c1-12(2)10-6-9-11-7-4-3-5-8-11;/h3-9H,10H2,1-2H3;1H/b9-6-;
- InChI Key： AOHWTKAZWYSYBL-BORNJIKYSA-N
- SMILES： Cl.N(C)(C)C/C=C\C1C=CC=CC=1
Computed Properties
- Exact Mass: 197.0971272g/mol
- Monoisotopic Mass: 197.0971272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 132
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 3.2?2
2-Propen-1-amine,N,N-dimethyl-3-phenyl-, hydrochloride, (Z)- (9CI) Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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