Cas no 5445-99-8 ( )
structure
Product Name:
CAS No:5445-99-8
MF:C16H20ClN
MW:261.789703369141
CID:941376
PubChem ID:22270651
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3,4-diphenylbutan-2-amine,hydrochloride
- 1-Methyl-2,3-diphenyl-propylamin, Hydrochlorid
- 1-methyl-2,3-diphenyl-propylamine, hydrochloride
- 2-amino-3,4-diphenylbutane hydrochloride
- 2-amino-3,4-diphenylbutane hydrochloride salt
- NSC17145
- SureCN3372086
- DTXSID30624117
- SCHEMBL3372086
- 3,4-diphenylbutan-2-amine
- 3,4-Diphenylbutan-2-amine--hydrogen chloride (1/1)
- 5445-99-8
- NSC-17145
- DS-004644
-
-
- Inchi： 1S/C16H19N.ClH/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2-11,13,16H,12,17H2,1H3;1H
- InChI Key： VJHPKJFCLJFBGJ-UHFFFAOYSA-N
- SMILES： Cl.NC(C)C(C1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 225.15187
- Monoisotopic Mass: 261.1284273g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 202
- 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: 26.02
- LogP: 4.86240
Related Literature
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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