Cas no 62396-50-3 ((3S)-1-benzyl-N-ethyl-N-methylpyrrolidin-3-amine)
62396-50-3 structure
Product Name:(3S)-1-benzyl-N-ethyl-N-methylpyrrolidin-3-amine
CAS No:62396-50-3
MF:C14H22N2
MW:218.337883472443
CID:1637626
PubChem ID:3046569
Update Time:2025-04-21
(3S)-1-benzyl-N-ethyl-N-methylpyrrolidin-3-amine Chemical and Physical Properties
Names and Identifiers
-
- (3S)-1-benzyl-N-ethyl-N-methylpyrrolidin-3-amine
- Pyrrolidine, 1-benzyl-3-(ethylmethylamino)-, dihydrochloride, L-(S)-
- 3-Pyrrolidineamine, 1-benzyl-N-ethyl-N-methyl-, dihydrochloride, (S)-
- 62396-50-3
- SCHEMBL7498815
- Pyrrolidine, 1-benzyl-3-(ethylmethylamino)-, L-(S)-
- DTXSID90211446
- L-(S)-N-Benzyl-3-ethylmethylaminopyrrolidine dihydrochloride
-
- Inchi： 1S/C14H22N2/c1-3-15(2)14-9-10-16(12-14)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3/t14-/m0/s1
- InChI Key： YFJFURKFAKMJMP-AWEZNQCLSA-N
- SMILES： N1(CC2C=CC=CC=2)CC[C@@H](C1)N(C)CC
Computed Properties
- Exact Mass: 218.17846
- Monoisotopic Mass: 218.178298710g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 199
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- PSA: 6.48
(3S)-1-benzyl-N-ethyl-N-methylpyrrolidin-3-amine Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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