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110-96-3 molecular structure
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bis(2-methylpropyl)amine

ChemBase ID: 106956
Molecular Formular: C8H19N
Molecular Mass: 129.24316
Monoisotopic Mass: 129.15174961
SMILES and InChIs

SMILES:
CC(C)CNCC(C)C
Canonical SMILES:
CC(CNCC(C)C)C
InChI:
InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3
InChIKey:
NJBCRXCAPCODGX-UHFFFAOYSA-N

Cite this record

CBID:106956 http://www.chembase.cn/molecule-106956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(2-methylpropyl)amine
IUPAC Traditional name
diisobutylamine
Synonyms
DIISOBUTYLAMINE
Diisobutylamine
二异丁胺
CAS Number
110-96-3
EC Number
203-819-3
MDL Number
MFCD00008930
Beilstein Number
1209251
PubChem SID
162093472
24848204
PubChem CID
8085

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 8085 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9440572  LogD (pH = 7.4) -0.7970738 
Log P 2.295728  Molar Refractivity 42.1818 cm3
Polarizability 17.036163 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
-77 °C(lit.) expand Show data source
-77°C expand Show data source
-77°C expand Show data source
Boiling Point
137°C expand Show data source
137-139 °C(lit.) expand Show data source
137-139°C expand Show data source
Flash Point
30 °C expand Show data source
30°C(86°F) expand Show data source
86 °F expand Show data source
Density
0.74 g/mL at 25 °C(lit.) expand Show data source
0.744 expand Show data source
0.745 g/ml expand Show data source
Refractive Index
1.4090 expand Show data source
n20/D 1.4081(lit.) expand Show data source
n20/D 1.409 expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
TX1750000 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
2361 expand Show data source
UN2361 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10-22-34 expand Show data source
R:10-22-34 expand Show data source
Safety Statements
20-23-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
S:16-26-27/28-36/37/39-46-64 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
H226-H301-H314 expand Show data source
H301-H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P280-P301 + P310-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 2361 3/PG 3 expand Show data source
Purity
≥98.0% (GC) expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(CH3)2CHCH2NHCH2CH(CH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202032 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 135186 external link
Packaging
1 L in glass bottle
250 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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