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123-00-2 molecular structure
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3-(morpholin-4-yl)propan-1-amine

ChemBase ID: 24411
Molecular Formular: C7H16N2O
Molecular Mass: 144.21474
Monoisotopic Mass: 144.12626314
SMILES and InChIs

SMILES:
N1(CCCN)CCOCC1
Canonical SMILES:
NCCCN1CCOCC1
InChI:
InChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2
InChIKey:
UIKUBYKUYUSRSM-UHFFFAOYSA-N

Cite this record

CBID:24411 http://www.chembase.cn/molecule-24411.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(morpholin-4-yl)propan-1-amine
IUPAC Traditional name
4-morpholinepropanamine
Synonyms
3-morpholinopropan-1-amine
3-Morpholinopropylamine
3-(4-Morpholinyl)-1-propanamine
4-(3-Aminopropyl)morpholine
N-3-AMINOPROPYLMORPHOLINE
4-Morpholinepropylamine
3-(4-Morpholinyl)propylamine
4-(3-氨丙基)吗啉
3-吗啉丙胺
4-3-氨丙基吗啉
CAS Number
123-00-2
EC Number
204-590-2
MDL Number
MFCD00006184
Beilstein Number
105104
PubChem SID
24891218
24846307
24891203
160987718
PubChem CID
61055

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.0985117  LogD (pH = 7.4) -3.4427817 
Log P -0.76535505  Molar Refractivity 41.8778 cm3
Polarizability 16.638529 Å3 Polar Surface Area 38.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-15 °C(lit.) expand Show data source
-15°C expand Show data source
Boiling Point
223-225°C expand Show data source
224 °C(lit.) expand Show data source
Flash Point
210.2 °F expand Show data source
98°C(210°F) expand Show data source
99 °C expand Show data source
Density
0.987 expand Show data source
0.987 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4761 expand Show data source
n20/D 1.4761(lit.) expand Show data source
n20/D 1.477 expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
RTECS
QD7700000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X 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
2 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
Risk Statements
21/22-34 expand Show data source
21-34 expand Show data source
Safety Statements
20-23-26-26-36/37/39-45-60 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
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H311-H314-H318-H303 expand Show data source
H312-H314 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P361-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 3 expand Show data source
Purity
≥97.0% (GC) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Ignition Residue
<0.1% expand Show data source
Impurities
<0.0005% Phosphorus (P) expand Show data source
Cation Traces
Al: <0.0005% expand Show data source
Ca: <0.0005% expand Show data source
Cu: <0.0005% expand Show data source
Fe: <0.0005% expand Show data source
K: <0.005% expand Show data source
Mg: <0.0005% expand Show data source
Na: <0.005% expand Show data source
NH4+: <0.05% expand Show data source
Pb: <0.001% expand Show data source
Zn: <0.0005% expand Show data source
Antion Traces
chloride (Cl-): <0.05% expand Show data source
sulfate (SO42-): <0.05% expand Show data source
Empirical Formula (Hill Notation)
C7H16N2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206283 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A9028 external link
包装
100, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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