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996-35-0 molecular structure
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dimethyl(propan-2-yl)amine

ChemBase ID: 111403
Molecular Formular: C5H13N
Molecular Mass: 87.16342
Monoisotopic Mass: 87.10479942
SMILES and InChIs

SMILES:
CC(C)N(C)C
Canonical SMILES:
CN(C(C)C)C
InChI:
InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3
InChIKey:
VMOWKUTXPNPTEN-UHFFFAOYSA-N

Cite this record

CBID:111403 http://www.chembase.cn/molecule-111403.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl(propan-2-yl)amine
IUPAC Traditional name
N,N-dimethylisopropylamine
Synonyms
N,N-DIMETHYLISOPROPYLAMINE
DMIPA
N,N-Dimethylisopropylamine
N,N-二甲基异丙胺
CAS Number
996-35-0
EC Number
213-635-5
MDL Number
MFCD00015014
Beilstein Number
1696929
PubChem SID
162096644
24879089
24865448
PubChem CID
70452

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 70452 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4945357  LogD (pH = 7.4) -1.569014 
Log P 0.9635524  Molar Refractivity 29.1555 cm3
Polarizability 11.495053 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
65.5 °C/752 mmHg(lit.) expand Show data source
Flash Point
-16.6 °F expand Show data source
-27 °C expand Show data source
Density
0.715 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.3905(lit.) expand Show data source
n20/D 1.391 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
UN Number
2733 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
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-20/22-34-51/53 expand Show data source
Safety Statements
16-26-29-36/37/39-45-61 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H314-H331-H411 expand Show data source
GHS Precautionary statements
P210-P261-P273-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 2733 3/PG 2 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)2CHN(CH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05219030 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 550051 external link
Packaging
100, 500 mL in glass bottle
Legal Information
Product of Arkema Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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