Cas no 116169-49-4 ((trans-4-Phenylpyrrolidin-3-yl)methanamine dihydrochloride)
116169-49-4 structure
Product Name:(trans-4-Phenylpyrrolidin-3-yl)methanamine dihydrochloride
CAS No:116169-49-4
MF:C11H18Cl2N2
MW:249.180020809174
CID:1205317
Update Time:2023-08-02
(trans-4-Phenylpyrrolidin-3-yl)methanamine dihydrochloride Chemical and Physical Properties
Names and Identifiers
-
- CTK4A9661
- (Trans-4-phenylpyrrolidin-3-yl)methanamine dihydrochloride
- KB-144816
- 4-phenyl-3-pyrrolidinemethanamine
- AG-L-59513
- RP28847
- [(3R,4R)-4-phenylpyrrolidin-3-yl]methanamine,dihydrochloride
- [(3R,4R)-4-phenylpyrrolidin-3-yl]methanamine
- dihydrochloride
- 1-[(3R,4R)-4-Phenylpyrrolidin-3-yl]methanamine--hydrogen chloride (1/2)
- (trans-4-Phenylpyrrolidin-3-yl)methanamine dihydrochloride
-
- Inchi： 1S/C11H16N2.2ClH/c12-6-10-7-13-8-11(10)9-4-2-1-3-5-9;;/h1-5,10-11,13H,6-8,12H2;2*1H/t10-,11+;;/m1../s1
- InChI Key： VAYZXVHSWPTLBZ-OXPNAJOUSA-N
- SMILES： Cl.Cl.N1C[C@@H](C2C=CC=CC=2)[C@H](CN)C1
Computed Properties
- Exact Mass: 248.084704g/mol
- Monoisotopic Mass: 248.084704g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 152
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 249.18g/mol
- Topological Polar Surface Area: 38
(trans-4-Phenylpyrrolidin-3-yl)methanamine dihydrochloride Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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