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302-72-7 molecular structure
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2-aminopropanoic acid

ChemBase ID: 102164
Molecular Formular: C3H7NO2
Molecular Mass: 89.09318
Monoisotopic Mass: 89.04767847
SMILES and InChIs

SMILES:
CC(N)C(=O)O
Canonical SMILES:
CC(C(=O)O)N
InChI:
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIKey:
QNAYBMKLOCPYGJ-UHFFFAOYSA-N

Cite this record

CBID:102164 http://www.chembase.cn/molecule-102164.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminopropanoic acid
IUPAC Traditional name
alanine
Synonyms
(±)-2-Aminopropionic acid
D-Alanine
2-Aminopropionic Acid
DL-α-ALANINE
DL-Alanine
H-DL-Ala-OH
DL-2-Aminopropionic acid
DL-Alanine
(±)-2-氨基丙酸
DL-丙氨酸
CAS Number
302-72-7
338-69-2
EC Number
206-126-4
MDL Number
MFCD00064408
MFCD00008077
Beilstein Number
635807
1720250
Merck Index
14204
PubChem SID
162089931
24845822
24901892
24891244
PubChem CID
602
FEMA ID
3818
Flavis Number
17.024

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.4748974  H Acceptors
H Donor LogD (pH = 5.5) -2.840927 
LogD (pH = 7.4) -2.843974  Log P -2.840788 
Molar Refractivity 20.4973 cm3 Polarizability 8.358352 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
264-296°C expand Show data source
289 °C (dec.)(lit.) expand Show data source
295-300 °C (dec.) expand Show data source
ca 292°C dec. expand Show data source
Density
1.42 expand Show data source
1.42 g/ml expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
AY2980000 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
1 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Regulation Compliance
FCC expand Show data source
FDA 21 CFR (172.54) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥99% expand Show data source
≥99% (TLC) expand Show data source
≥99.0% (NT) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
Halal expand Show data source
Kosher expand Show data source
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.05% expand Show data source
Loss on Drying
≤0.2% loss on drying expand Show data source
Linear Formula
CH3CH(NH2)COOH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05210408 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02100423 external link
Crystalline
Sigma Aldrich - A7502 external link
包装
1 kg in poly bottle
5 kg in poly drum
Sigma Aldrich - W502618 external link
Features and Benefits
Odorless, sweet taste
Sigma Aldrich - W381810 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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