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107-11-9 molecular structure
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prop-2-en-1-amine

ChemBase ID: 107678
Molecular Formular: C3H7N
Molecular Mass: 57.09438
Monoisotopic Mass: 57.05784923
SMILES and InChIs

SMILES:
NCC=C
Canonical SMILES:
NCC=C
InChI:
InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
InChIKey:
VVJKKWFAADXIJK-UHFFFAOYSA-N

Cite this record

CBID:107678 http://www.chembase.cn/molecule-107678.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
prop-2-en-1-amine
IUPAC Traditional name
allylamine
Synonyms
3-Aminopropene
3-Aminopropylene
Monoallylamine
2-Propenamine
2-Propen-1-amine
Allyl amine
2-Propen-1-ylamine
3-Amino-1-propene
Allylamine
Poly(allylamine hydrochloride)
ALLYLAMINE
丙烯基胺
2-丙烯-1-胺
3-氨基-1-丙烯
烯丙胺
聚(丙烯胺盐酸盐)
CAS Number
107-11-9
71550-12-4
EC Number
203-463-9
415-050-2
MDL Number
MFCD00084396
MFCD00008199
Beilstein Number
635703
Merck Index
14287
PubChem SID
24848749
162093758
24854462
PubChem CID
7853
CHEMBL
57286
Chemspider ID
13835977
Unique Ingredient Identifier
48G762T011
Wikipedia Title
Allylamine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8962486  LogD (pH = 7.4) -2.0909507 
Log P 0.10579096  Molar Refractivity 19.0815 cm3
Polarizability 7.571886 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Soluble in water expand Show data source
Apperance
Colorless liquid expand Show data source
Powder expand Show data source
Melting Point
-88 °C(lit.) expand Show data source
-88°C expand Show data source
-88°C expand Show data source
Boiling Point
53 °C(lit.) expand Show data source
53°C expand Show data source
53-54°C expand Show data source
55 - 58°C expand Show data source
Flash Point
-20.2 °F expand Show data source
-28 °C expand Show data source
-28°C(-18°F) expand Show data source
-29 °C expand Show data source
Density
0.76 g/ml expand Show data source
0.761 expand Show data source
0.761 g/mL at 25 °C(lit.) expand Show data source
0.7630 g/cm3, liquid expand Show data source
Refractive Index
1.4210 expand Show data source
n20/D 1.420 expand Show data source
n20/D 1.420(lit.) expand Show data source
Vapor Pressure
4.09 psi ( 20 °C) expand Show data source
Vapor Density
2 (vs air) expand Show data source
pKa
9.49 expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
BA5425000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
X expand Show data source
UN Number
2334 expand Show data source
UN2334 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
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Risk Statements
11-23/24/25-51/53 expand Show data source
22-43 expand Show data source
R:11-23/24/25-51/53 expand Show data source
R11 R23/24/25 R51/53 expand Show data source
Safety Statements
1/2-9-16-24/25-45-61 expand Show data source
36/37 expand Show data source
9-16-24/25-45-61 expand Show data source
S:9-16-45-61-24/25 expand Show data source
S9 S16 S24/25 S45 S61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Lachrymatory expand Show data source
NFPA704
NFPA 704 diagram
3
4
expand Show data source
Explode Limits
22 % expand Show data source
GHS Hazard statements
H225-H301-H310-H331-H411 expand Show data source
H225-H301-H311-H331-H411 expand Show data source
H302-H317 expand Show data source
GHS Precautionary statements
P210-P261-P273-P280-P301 + P310-P302 + P350 expand Show data source
P210-P301+P310-P303+P361+P353-P361-P405-P501A expand Show data source
P280H expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 2334 6.1/PG 1 expand Show data source
Purity
≥98.0% (GC) expand Show data source
≥99% expand Show data source
≥99.5% (GC) expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
puriss. expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤0.2% water expand Show data source
Linear Formula
CH2=CHCH2NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204571 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 145831 external link
Application
Used in a direct monocarboxymethylation reaction.1
Packaging
1 L in Sure/Seal™
250 mL in Sure/Seal™
Sigma Aldrich - 241075 external link
Packaging
50 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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