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2623-91-8 molecular structure
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(2R)-2-aminobutanoic acid

ChemBase ID: 4034
Molecular Formular: C4H9NO2
Molecular Mass: 103.11976
Monoisotopic Mass: 103.06332853
SMILES and InChIs

SMILES:
CC[C@@H](N)C(=O)O
Canonical SMILES:
CC[C@H](C(=O)O)N
InChI:
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey:
QWCKQJZIFLGMSD-GSVOUGTGSA-N

Cite this record

CBID:4034 http://www.chembase.cn/molecule-4034.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-aminobutanoic acid
IUPAC Traditional name
D-2-aminobutyric acid
D-(-)-2-aminobutyric acid
Synonyms
H-D-Abu-OH
D-(-)-2-Aminobutyric acid
(R)-2-Aminobutanoic acid
(2R)-2-aminobutanoic acid
Alpha-Aminobutyric Acid
D-2-Aminobutyric acid
2-Aminobutanoic acid
DL-α-AMINO-n-BUTYRIC ACID
(R)-(-)-2-Aminobutyric acid
D-2-Aminobutyric acid
D-(-)-2-氨基丁酸
(R)-(-)-2-氨基丁酸
D-2-氨基丁酸
CAS Number
2623-91-8
2835-81-6
EC Number
220-616-5
220-084-4
MDL Number
MFCD00063842
MFCD00064414
Beilstein Number
1720934
PubChem SID
24847264
24846027
46505337
160967469
PubChem CID
439691

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 2.615755  H Acceptors
H Donor LogD (pH = 5.5) -2.3183894 
LogD (pH = 7.4) -2.3208885  Log P -2.3181498 
Molar Refractivity 25.0213 cm3 Polarizability 10.177998 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -2.55  LOG S 0.54 
Solubility (Water) 3.58e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300 °C(lit.) expand Show data source
>300°C expand Show data source
291°C (decomposes) expand Show data source
Optical Rotation
[α]20/D -21 to -19°, c = 4 in H2O expand Show data source
-20.5 (c=4.8 in 6N HCl) expand Show data source
Hydrophobicity(logP)
-2.595 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (NT) expand Show data source
95% expand Show data source
95+% expand Show data source
98% expand Show data source
98+% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Optical Purity
ee: 99% (GLC) expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C2H5CH(NH2)CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05207535 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB04454 external link
Drug information: experimental
Sigma Aldrich - 116122 external link
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 07210 external link
Other Notes
Enantioselective deamino-halogenation and preparation of ethyloxirane1,2; Starting material for 2-hydroxybutyric acid and 1,2-butanediol3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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