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66228-31-7 molecular structure
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(2R)-3,3-dimethylbutan-2-amine

ChemBase ID: 143305
Molecular Formular: C6H15N
Molecular Mass: 101.19
Monoisotopic Mass: 101.12044949
SMILES and InChIs

SMILES:
C[C@H](C(C)(C)C)N
Canonical SMILES:
C[C@H](C(C)(C)C)N
InChI:
InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m1/s1
InChIKey:
DXSUORGKJZADET-RXMQYKEDSA-N

Cite this record

CBID:143305 http://www.chembase.cn/molecule-143305.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-3,3-dimethylbutan-2-amine
IUPAC Traditional name
(2R)-3,3-dimethylbutan-2-amine
Synonyms
(2R)-3,3-dimethylbutan-2-amine
(R)-3,3-Dimethyl-2-aminobutane
(R)-(-)-3,3-Dimethyl-2-butylamine
(R)-2-Amino-3,3-dimethylbutane
(R)-(-)-3,3-Dimethyl-2-butylamine, ChiPros
(R)-3,3-二甲基-2-氨基丁烷
(R)-3,3-二甲基-2-丁胺
(R)-(-)-3,3-二甲基-2-丁胺, ChiPros
CAS Number
66228-31-7
EC Number
000-000-0
MDL Number
MFCD00671643
Beilstein Number
5237592
PubChem SID
162237526
24884982
PubChem CID
5324845

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5324845 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6097478  LogD (pH = 7.4) -1.1667402 
Log P 1.4134202  Molar Refractivity 32.4799 cm3
Polarizability 13.342089 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)
Melting Point
-4°C expand Show data source
Boiling Point
103 °C expand Show data source
103°C expand Show data source
Flash Point
2 °C expand Show data source
2°C(35°F) expand Show data source
35.6 °F expand Show data source
Density
0.755 expand Show data source
0.762 g/mL at 25 °C expand Show data source
Refractive Index
1.4127 expand Show data source
n20/D 1.4132 expand Show data source
Hydrophobicity(logP)
1.501 expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2733 expand Show data source
UN2733 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 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
11-22-34-52/53 expand Show data source
11-34 expand Show data source
Safety Statements
16-26-36/37/39-45-61 expand Show data source
26-36/37/39-45-61 expand Show data source
9-16-20-23-26-33-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H314-H412 expand Show data source
H225-H314-H318 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-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
Storage Temperature
2-8°C expand Show data source
Purity
≥98.5% (GC) expand Show data source
95% expand Show data source
97% expand Show data source
99% expand Show data source
99+%, ee 99+% expand Show data source
Grade
produced by BASF expand Show data source
Optical Purity
enantiomeric excess: ≥98.5% expand Show data source
Linear Formula
((CH3)3C)CH(NH2)CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 726729 external link
Packaging
25, 100 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE
Sigma Aldrich - 668427 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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