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6321-40-0 molecular structure
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tris(2-methylprop-2-en-1-yl)amine

ChemBase ID: 135474
Molecular Formular: C12H21N
Molecular Mass: 179.30184
Monoisotopic Mass: 179.16739968
SMILES and InChIs

SMILES:
CC(=C)CN(CC(=C)C)CC(=C)C
Canonical SMILES:
CC(=C)CN(CC(=C)C)CC(=C)C
InChI:
InChI=1S/C12H21N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h1,3,5,7-9H2,2,4,6H3
InChIKey:
FXBJYRVIFGLPBC-UHFFFAOYSA-N

Cite this record

CBID:135474 http://www.chembase.cn/molecule-135474.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(2-methylprop-2-en-1-yl)amine
IUPAC Traditional name
tris(2-methylprop-2-en-1-yl)amine
Synonyms
Tris(2-methylallyl)amine
三(2-甲基烯丙基)胺
CAS Number
6321-40-0
EC Number
228-674-3
MDL Number
MFCD00008596
PubChem SID
162229748
PubChem CID
80605

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
162264 external link Add to cart Please log in.
Data Source Data ID
PubChem 80605 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.050982025  LogD (pH = 7.4) 1.5730978 
Log P 3.1140027  Molar Refractivity 60.3222 cm3
Polarizability 23.738333 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
83-85 °C/15 mmHg(lit.) expand Show data source
Flash Point
127.4 °F expand Show data source
53 °C expand Show data source
Density
0.794 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.4575(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
98% expand Show data source
Linear Formula
[H2C=C(CH3)CH2]3N expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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