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6018-56-0 molecular structure
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(2R)-2,3-diaminopropanoic acid hydrochloride

ChemBase ID: 68335
Molecular Formular: C3H9ClN2O2
Molecular Mass: 140.56876
Monoisotopic Mass: 140.03525522
SMILES and InChIs

SMILES:
C(=O)([C@@H](CN)N)O.Cl
Canonical SMILES:
N[C@@H](C(=O)O)CN.Cl
InChI:
InChI=1S/C3H8N2O2.ClH/c4-1-2(5)3(6)7;/h2H,1,4-5H2,(H,6,7);1H/t2-;/m1./s1
InChIKey:
SKWCZPYWFRTSDD-HSHFZTNMSA-N

Cite this record

CBID:68335 http://www.chembase.cn/molecule-68335.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2,3-diaminopropanoic acid hydrochloride
IUPAC Traditional name
(2R)-2,3-diaminopropanoic acid hydrochloride
Synonyms
D-(-)-2,3-Diaminopropionic acid hydrochloride
3-Amino-D-alanine monohydrochloride
D-2,3-Diaminopropionic acid monohydrochloride
(R)-2,3-Diaminopropanoic acid hydrochloride
3-氨基-D-丙氨酸 单盐酸盐
D-2,3-二氨基丙酸 单盐酸盐
CAS Number
6018-56-0
MDL Number
MFCD00070606
Beilstein Number
5293359
PubChem SID
24886957
162034066
PubChem CID
16218517

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16218517 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.1010375  H Acceptors
H Donor LogD (pH = 5.5) -5.112607 
LogD (pH = 7.4) -4.0595517  Log P -4.0216513 
Molar Refractivity 23.6985 cm3 Polarizability 9.885121 Å3
Polar Surface Area 89.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
235-240 °C (dec.) expand Show data source
Optical Rotation
[α]20/D -25±2°, c = 2% in 0.5 M HCl expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.0% (AT) expand Show data source
95+% expand Show data source
Empirical Formula (Hill Notation)
C3H8N2O2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 76179 external link
Packaging
5 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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