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99636-32-5 molecular structure
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(2S)-1-methoxypropan-2-amine

ChemBase ID: 302455
Molecular Formular: C4H11NO
Molecular Mass: 89.13624
Monoisotopic Mass: 89.08406398
SMILES and InChIs

SMILES:
C[C@@H](COC)N
Canonical SMILES:
COC[C@@H](N)C
InChI:
InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKey:
NXMXETCTWNXSFG-BYPYZUCNSA-N

Cite this record

CBID:302455 http://www.chembase.cn/molecule-302455.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-1-methoxypropan-2-amine
IUPAC Traditional name
(2S)-1-methoxypropan-2-amine
Synonyms
(S)-2-Amino-1-methoxypropane
(S)-(+)-1-Methoxy-2-propylamine
(S)-(+)-1-甲氧基-2-丙胺
CAS Number
99636-32-5
MDL Number
MFCD01075730
Beilstein Number
5725728

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar L16325 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2594244  LogD (pH = 7.4) -2.4717588 
Log P -0.25585935  Molar Refractivity 25.3811 cm3
Polarizability 10.314882 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-95°C expand Show data source
Boiling Point
98-99°C expand Show data source
Flash Point
9°C(48°F) expand Show data source
Density
0.844 expand Show data source
Refractive Index
1.4044 expand Show data source
Optical Rotation
+11.5 (neat) expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
X expand Show data source
UN Number
UN2733 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11-22-34-52/53 expand Show data source
Safety Statements
16-26-36/37/39-45-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H225-H314-H318-H302-H402-H412 expand Show data source
GHS Precautionary statements
P210-P280-P273-P305+P351+P338-P309-P310 expand Show data source
Purity
ChiPros 98+%, ee 96+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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