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Home> Encyclopedia >Organic Acid>Pharmaceutical Intermediates>Organic Intermediate
L(+)-2-Aminobutyric acid structure
L(+)-2-Aminobutyric acid structure

L(+)-2-Aminobutyric acid

Iupac Name:(2S)-2-aminobutanoic acid
CAS No.: 1492-24-6
Molecular Weight:103.12
Modify Date.: 2022-11-29 08:30
Introduction: aminobutyric acid is an amino acid with water-binding properties and possible anti-inflammatory capacities. View more+
1. Names and Identifiers
1.1 Name
L(+)-2-Aminobutyric acid
1.2 Synonyms

(S)-(+)-2-Amino butiric acid (S)-(+)-α-Aminobutyric acid Aminobutyric acid, 2- EINECS 216-083-3 H-ABU-OH L-2-AMINOBUTANOIC ACID L-2-AMINO-N-BUTYRIC ACID L-ABU L-ALPHA-AMINO-N-BUTYRIC ACID L-Butyrine L-Ethylglycine L-Homoalanine MFCD00064415 NSC 97060 S-Butyrine

1.3 CAS No.
1492-24-6
1.4 CID
80283
1.5 EINECS(EC#)
216-083-3
1.6 Molecular Formula
C4H9NO2 (isomer)
1.7 Inchi
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
1.8 InChkey
QWCKQJZIFLGMSD-VKHMYHEASA-N
1.9 Canonical Smiles
CCC(C(=O)O)N
1.10 Isomers Smiles
CC[C@@H](C(=O)O)N
2. Properties
2.1 Density
1.2300 (estimate)
2.1 Melting point
300 °C
2.1 Boiling point
215.2 °C at 760 mmHg
2.1 Refractive index
1.4650 (estimate)
2.1 Flash Point
83.9 °C
2.1 Precise Quality
103.06300
2.1 PSA
63.32000
2.1 logP
0.50860
2.1 Solubility
22.7 g/100 mL (22 oC) in water
2.2 Appearance
Solid
2.3 Storage
Ambient temperatures.
2.4 Chemical Properties
White Crystalline Solid
2.5 Color/Form
White to beige
2.6 Physical
Solid
2.7 pKa
2.29(at 25℃)
2.8 Water Solubility
1.438e+005 mg/L @ 25 °C (est)
2.9 Stability
Stable under normal temperatures and pressures.
2.10 StorageTemp
Store at RT.
3. Use and Manufacturing
3.1 Definition
ChEBI: An optically active form of alpha-aminobutyric acid having L-configuration.
3.2 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 37 companies from 2 notifications to the ECHA C&L Inventory.

H317 (94.59%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
3.3 Purification Methods
Crystallise butyrine from aqueous EtOH, and the melting point depends on heating rate but has m 303o in a sealed tube. [Greenstein & Winitz The Chemistry of the Amino Acids J. Wiley, Vol 3 p 2399 IR: 2401 1961, Beilstein 4 III 1294, 4 IV 2584.] L(+)-2-Aminobutyric acidSupplier
3.4 Usage
aminobutyric acid is an amino acid with water-binding properties and possible anti-inflammatory capacities.
4. Safety and Handling
4.1 Hazard Codes
Xi
4.1 Risk Statements
43
4.1 Safety Statements
36/37
4.1 Hazard Declaration
H317
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P280
4.1 WGK Germany
3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 Usage
L-(+)-2-Aminobutyric acid is used in the biosynthesis of nonribosomal peptides. It acts as a receptor antagonist. It is also used as a chiral reagent. Further, it is used in the determination of substrate of glutamyl cysteine acid synthase. In addition to this, it is also utilized as a drug intermediate.
9.1 Mesh Entry Terms
(2S)-2-aminobutanoic acid
9.2 Manufacturing Info
Butanoic acid, 2-amino-, (2S)-: ACTIVE
9.3 Use Classification
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]|Cosmetics -> Hair conditioning
9.4 Merck
14,428
9.5 BRN
1720935
9.6 Chemical Properties
White Crystalline Solid
9.7 Uses
Receptor antagonist
9.8 Uses
aminobutyric acid is an amino acid with water-binding properties and possible anti-inflammatory capacities.
9.9 Definition
ChEBI: An optically active form of alpha-aminobutyric acid having L-configuration.
9.10 Purification Methods
Crystallise butyrine from aqueous EtOH, and the melting point depends on heating rate but has m 303o in a sealed tube. [Greenstein & Winitz The Chemistry of the Amino Acids J. Wiley, Vol 3 p 2399 IR: 2401 1961, Beilstein 4 III 1294, 4 IV 2584.]
10. Computational chemical data
  • Molecular Weight: 103.12g/mol
  • Molecular Formula: C4H9NO2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 103.063328530
  • Monoisotopic Mass: 103.063328530
  • Complexity: 72.1
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 63.3
  • Heavy Atom Count: 7
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQCCABAAgAIAACQCAAAAAAAAAAAAIGAAAACABAAAAAAQAAEEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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