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124-02-7 molecular structure
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bis(prop-2-en-1-yl)amine

ChemBase ID: 109123
Molecular Formular: C6H11N
Molecular Mass: 97.15824
Monoisotopic Mass: 97.08914936
SMILES and InChIs

SMILES:
C=CCNCC=C
Canonical SMILES:
C=CCNCC=C
InChI:
InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
InChIKey:
DYUWTXWIYMHBQS-UHFFFAOYSA-N

Cite this record

CBID:109123 http://www.chembase.cn/molecule-109123.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(prop-2-en-1-yl)amine
IUPAC Traditional name
diallylamine
Synonyms
DIALLYLAMINE
Diallylamine
二烯丙基胺
CAS Number
124-02-7
EC Number
204-671-2
MDL Number
MFCD00008642
Beilstein Number
773718
Merck Index
142971
PubChem SID
24894312
162094510
PubChem CID
31279

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 31279 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8309826  LogD (pH = 7.4) -0.4802886 
Log P 1.2696211  Molar Refractivity 33.0188 cm3
Polarizability 12.885164 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-100°C expand Show data source
-88 °C(lit.) expand Show data source
-88°C expand Show data source
Boiling Point
111-112 °C(lit.) expand Show data source
111-112°C expand Show data source
111-112°C expand Show data source
Flash Point
44.6 °F expand Show data source
7 °C expand Show data source
7°C(44°F) expand Show data source
Density
0.787 g/ml expand Show data source
0.787 g/mL at 25 °C(lit.) expand Show data source
0.789 expand Show data source
Refractive Index
1.4405 expand Show data source
n20/D 1.440(lit.) expand Show data source
Vapor Pressure
18 mmHg ( 20 °C) expand Show data source
Vapor Density
3.35 (vs air) expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
UC6650000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2359 expand Show data source
UN2359 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
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-20/22-24-34 expand Show data source
R:11-22-27-34 expand Show data source
Safety Statements
16-23-26-33-36/37/39-45 expand Show data source
16-26-36/37/39-45 expand Show data source
S:16-27/28-29-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H311 + H331-H314 expand Show data source
H225-H311-H330-H302-H314-H318 expand Show data source
GHS Precautionary statements
P210-P261-P280-P305 + P351 + P338-P310 expand Show data source
P210-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A 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 2359 3/PG 2 expand Show data source
Purity
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(CH2=CHCH2)2NH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209929 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D9603 external link
Packaging
1 L in glass bottle
100, 500 mL in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Pd catalyzed coupling with aryl or heteroaryl halides followed by cleavage with methanesulfonic acid or BF3 etherate in the presence of Pd on carbon, provides a mild route to aryl or heteroaryl amines in which the diallylamine behaves as an ammonia equivalent: Tetrahedron Lett., 39, 1313 (1998).
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PATENTS

PATENTS

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INTERNET

INTERNET

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