N(alpha),N(alpha)-Dimethylalanine
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N(alpha),N(alpha)-Dimethylalanine
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CAS No:
2812-31-9
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Formula:
C5H11NO2
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Chemical Name:
N(alpha),N(alpha)-Dimethylalanine
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Synonyms:
N(alpha),N(alpha)-Dimethylalanine;N,N-dimethylalanine;L-Alanine, N,N-dimethyl-;(2S)-2-(dimethylamino)propanoic acid;(S)-2-(Dimethylamino)propanoic acid - [D91689]
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CAS No:
Description
ChEBI: A methyl-L-alanine in which both the amino hydrogens of L-alanine are replaced by methyl groups.
N,N-dimethyl-L-alanine is a methyl-L-alanine in which both the amino hydrogens of L-alanine are replaced by methyl groups.
Characteristics
40.5
-2
1.033±0.06 g/cm3(Predicted)
184-185 °C
179.9±23.0 °C(Predicted)
62.6±22.6 °C
1.450
2.34±0.11(Predicted)
2-8°C
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
N(alpha),N(alpha)-Dimethylalanine Use and Manufacturing
A mixture of L-alanine (2.5 g, 28 mmol), formaldehyde (8.4 g, 37 wt. percent), 1N HCl (30 mL) and 10percent Pd/C (500mg) in methanol (30 mL) was stirred under a hydrogen atmosphere (50 psi) for 5 hours. The reaction mixture was filteredthrough diatomaceous earth (Celite®) and the filtrate was concentrated in vacuo to provide the HCl salt of Cap-13 asan oil which solidified upon standing under vacuum (4.4 g; the mass is above theoretical yield). The product was usedwithout further purification. 1H NMR (DMSO-d6, δ=2.5, 500 MHz) δ 12.1 (br s, 1H), 4.06 (q, J=7.4, 1H), 2.76 (s, 6H), 1.46(d, J=7.3, 3H).
N,N-Dimethylalanine has been used as a reactant in the synthesis of Aplyronine A, a potent antitumor substance of marine origin.
Computed Properties
Molecular Weight:117.15
XLogP3:-2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:117.078978594
Monoisotopic Mass:117.078978594
Topological Polar Surface Area:40.5
Heavy Atom Count:8
Complexity:90.4
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N(alpha),N(alpha)-Dimethylalanine
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