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534-03-2 molecular structure
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2-aminopropane-1,3-diol

ChemBase ID: 19153
Molecular Formular: C3H9NO2
Molecular Mass: 91.10906
Monoisotopic Mass: 91.06332853
SMILES and InChIs

SMILES:
OCC(N)CO
Canonical SMILES:
OCC(CO)N
InChI:
InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2
InChIKey:
KJJPLEZQSCZCKE-UHFFFAOYSA-N

Cite this record

CBID:19153 http://www.chembase.cn/molecule-19153.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminopropane-1,3-diol
IUPAC Traditional name
2-aminopropane-1,3-diol
Synonyms
2-Amino-1,3-propanediol
Serinol
2-Amino-1,3-propanediol
2-aminopropane-1,3-diol
2-Amino-1,3-propanediol
Serinol
2-Amino-1,3-dihydroxypropane
2-Aminopropane-1,3-diol 99%
2-氨基-1,3-丙烷二醇
2-氨基-1,3-丙二醇
丝氨醇
丝氨醇
2-氨基-1,3-丙二醇
CAS Number
534-03-2
EC Number
208-584-0
MDL Number
MFCD00051487
Beilstein Number
635683
PubChem SID
24865206
24861950
160982460
PubChem CID
68294

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.752636  H Acceptors
H Donor LogD (pH = 5.5) -4.8994164 
LogD (pH = 7.4) -3.755068  Log P -1.9458958 
Molar Refractivity 22.1736 cm3 Polarizability 9.061876 Å3
Polar Surface Area 66.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
52-55 °C(lit.) expand Show data source
52-56°C expand Show data source
52-56°C expand Show data source
55-57°C expand Show data source
Boiling Point
128°C/0.8mm expand Show data source
128°C/0.8mm expand Show data source
277 °C(lit.) expand Show data source
Flash Point
>110°C expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Hydrophobicity(logP)
-1.49 expand Show data source
Storage Warning
Corrosive/Hygroscopic/Store under Argon expand Show data source
Hygroscopic expand Show data source
IRRITANT, MOISTURE SENSITIVE expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3263 expand Show data source
UN3259 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-27-28-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318-H313 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3263 8/PG 2 expand Show data source
Purity
≥97.0% expand Show data source
95% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
HOCH2CH(NH2)CH2OH expand Show data source
Empirical Formula (Hill Notation)
C3H9NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 357898 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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