Cas no 21899-99-0 (Benzeneethanamine,a,b-dimethyl-, hydrochloride (1:1))
21899-99-0 structure
Product Name:Benzeneethanamine,a,b-dimethyl-, hydrochloride (1:1)
CAS No:21899-99-0
MF:C10H16ClN
MW:185.693741798401
CID:290493
PubChem ID:24841298
Update Time:2025-04-19
Benzeneethanamine,a,b-dimethyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanamine,a,b-dimethyl-, hydrochloride (1:1)
- 3-phenylbutan-2-amine,hydrochloride
- (1RS,2RS)-1,2-diphenyl-propan-1-ol
- (1RS,2RS)-1-Methyl-2-phenyl-propylamin, Hydrochlorid
- (1RS,2RS)-1-methyl-2-phenyl-propylamine, hydrochloride
- 1,2-Diphenyl-1-propanol
- anti-1,2-diphenylpropan-1-ol
- Nsc241084
- NSC-37496
- CHEMBL1989120
- SH49520000
- NIOSH/SH4952000
- (+-)-alpha,beta-Dimethylphenethylamine hydrochloride
- dl-beta-Phenyl-beta-methylisopropylamine hydrochloride
- NSC37496
- Phenethylamine, alpha,beta-dimethyl-, hydrochloride, (+-)-
- 21899-99-0
-
- Inchi： 1S/C10H15N.ClH/c1-8(9(2)11)10-6-4-3-5-7-10;/h3-9H,11H2,1-2H3;1H
- InChI Key： RNIYCOBJKXZYOU-UHFFFAOYSA-N
- SMILES： Cl.NC(C)C(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 185.09700
- Monoisotopic Mass: 185.0971272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 105
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02000
- LogP: 3.63960
Benzeneethanamine,a,b-dimethyl-, hydrochloride (1:1) Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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