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35320-23-1 molecular structure
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(2S)-2-aminopropan-1-ol

ChemBase ID: 19292
Molecular Formular: C3H9NO
Molecular Mass: 75.10966
Monoisotopic Mass: 75.06841391
SMILES and InChIs

SMILES:
N[C@H](CO)C
Canonical SMILES:
C[C@@H](CO)N
InChI:
InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKey:
BKMMTJMQCTUHRP-VKHMYHEASA-N

Cite this record

CBID:19292 http://www.chembase.cn/molecule-19292.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-aminopropan-1-ol
IUPAC Traditional name
(2S)-2-aminopropan-1-ol
Synonyms
(S)-(+)-2-Amino-1-propanol
L-Alaninol
L-Alaninol
(S)-(+)-2-Amino-1-propanol
(+)-2-Aminopropan-1-ol
L-ALANINOL
(2R)-2-Amino-1-hydroxypropane
D-Alaninol
(2R)-2-Aminopropan-1-ol
(S)-2-Amino-propan-1-ol
(2S)-2-aminopropan-1-ol
H-Ala-ol
(S)-2-AMinopropan-1-ol
(S)-(+)-2-氨基-1-丙醇
L-丙氨醇
L-丙氨醇
(S)-(+)-2-氨基-1-丙醇
CAS Number
35320-23-1
2749-11-3
EC Number
220-388-7
MDL Number
MFCD00064413
MFCD00064412
Beilstein Number
1718865
PubChem SID
24891258
24845833
160982599
PubChem CID
80307

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.136744  H Acceptors
H Donor LogD (pH = 5.5) -3.908886 
LogD (pH = 7.4) -3.2041879  Log P -0.89898586 
Molar Refractivity 20.6299 cm3 Polarizability 8.402709 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
166-168 °C(lit.) expand Show data source
166-168°C expand Show data source
168-176°C expand Show data source
174-176°C expand Show data source
72-73 °C/11 mmHg(lit.) expand Show data source
Flash Point
145.4 °F expand Show data source
62.77°C expand Show data source
63 °C expand Show data source
83°C expand Show data source
83°C(181°F) expand Show data source
Density
0.963 g/mL at 20 °C(lit.) expand Show data source
0.965 expand Show data source
0.965 g/ml expand Show data source
0.965 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4493 expand Show data source
1.4498 expand Show data source
n20/D 1.4498(lit.) expand Show data source
n20/D 1.450 expand Show data source
Optical Rotation
[α]20/D +18°, neat expand Show data source
[α]20/D +22±2°, c = 2 in ethanol expand Show data source
+22 (c=2 in ethanol) expand Show data source
Hydrophobicity(logP)
-0.986 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Air Sensitive & Hygroscopic expand Show data source
Corrosive/Air Sensitive/ Hygroscopic/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2735 expand Show data source
UN2735 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
German water hazard class
3 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
R:36/37/38 expand Show data source
Safety Statements
20-23-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
S:16-26-36-45 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-H227 expand Show data source
GHS Precautionary statements
P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.5% (T) expand Show data source
95% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
puriss. expand Show data source
Optical Purity
ee: 97% (GLC) expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3CH(NH2)CH2OH expand Show data source
Empirical Formula (Hill Notation)
C3H9NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - A76206 external link
Packaging
1, 10 g in glass bottle
Application
Reacts with aryl nitriles to form oxazolines1,2,3 which are useful in Pd-catalyzed allylic substitution.2,3
Sigma Aldrich - 05230 external link
Other Notes
N-protection1; oxidation of the N-protected derivative to the aldehyde.2,3,4

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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