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N,N-Dimethylalanine

N,N-Dimethylalanine structure

CAS No:
2812-31-9
Formula:
C5H11NO2
Chemical Name:
N,N-Dimethylalanine
Synonyms:
L-Alanine,N,N-dimethyl-;Alanine,N,N-dimethyl-,L-;Alanine,N,N-dimethyl-;N,N-Dimethyl-L-alanine;Dimethylalanine;N,N-Dimethylalanine;L-N,N-Dimethylalanine;(S)-N,N-Dimethylalanine;(S)-2-(Dimethylamino)propanoic acid;Dimethyl-L-alanine;(2S)-2-(Dimethylamino)propanoic acid
Categories:
Chemical Reagents > Organic Reagents

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.

N,N-Dimethylalanine Basic Attributes

Molecular Weight：

117.15

Exact Mass：

117.15

DSSTox ID：

DTXSID00182395

Characteristics

PSA：

40.5

XLogP3：

-2

Density：

1.0±0.1 g/cm3

Melting Point：

184-185 °C

Boiling Point：

179.9°C at 760 mmHg

Flash Point：

62.6±22.6 °C

Refractive Index：

1.450

Safety Information

GHS Classification：

|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.

Drug Information

MeSH Entry Terms：

N(alpha),N(alpha)-dimethylalanine

N,N-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).

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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2812-31-9 (2S)-2-(dimethylamino)propanoic acid

CAS No.: 2812-31-9

Grade: Industrial Grade

Content: 95%

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