Cas no 754167-24-3 (3-(N,N-Diethylamino)-L-alanine)
754167-24-3 structure
Product Name:3-(N,N-Diethylamino)-L-alanine
CAS No:754167-24-3
MF:C7H16N2O2
MW:160.214141845703
CID:68753
PubChem ID:45082335
Update Time:2025-04-18
3-(N,N-Diethylamino)-L-alanine Chemical and Physical Properties
Names and Identifiers
-
- 3-(N,N-Diethylamino)-L-alanine
- (S)-2-Amino-3-(diethylamino)propanoic acid
- (2S)-2-amino-3-(diethylamino)propanoic acid
- D-Β-(N, N-DIETHYLAMINO) ALANINE
- Q371
- 3-(Diethylamino)-L-alanine
- (S)-2-Amino-3-(diethylamino)propionic acid
- beta-N,N-Diethylamino-L-Ala
- AKOS006284486
- 3-(n,n-diethylamino)-d-alanine
- 754167-24-3
- DTXSID40665253
- H-Ala(3-(N,N-Diethylamino))-OH
-
- Inchi: 1S/C7H16N2O2/c1-3-9(4-2)5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1
- InChI Key: MWPNPNLDBXDQCC-LURJTMIESA-N
- SMILES: OC([C@H](CN(CC)CC)N)=O
Computed Properties
- Exact Mass: 160.12100
- Monoisotopic Mass: 160.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 124
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -2.6
- Topological Polar Surface Area: 66.6?2
Experimental Properties
- PSA: 66.56000
- LogP: 0.44040
3-(N,N-Diethylamino)-L-alanine Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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