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108-09-8 molecular structure
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4-methylpentan-2-amine

ChemBase ID: 146030
Molecular Formular: C6H15N
Molecular Mass: 101.19
Monoisotopic Mass: 101.12044949
SMILES and InChIs

SMILES:
CC(C)CC(C)N
Canonical SMILES:
CC(CC(N)C)C
InChI:
InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3
InChIKey:
UNBMPKNTYKDYCG-UHFFFAOYSA-N

Cite this record

CBID:146030 http://www.chembase.cn/molecule-146030.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylpentan-2-amine
IUPAC Traditional name
2-pentanamine, 4-methyl-
Synonyms
1,3-Dimethylbutylamine
1,3-二甲基丁胺
CAS Number
108-09-8
EC Number
203-549-6
MDL Number
MFCD00008088
PubChem SID
24847726
162240230
PubChem CID
7908

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
126411 external link Add to cart Please log in.
Data Source Data ID
PubChem 7908 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6255312  LogD (pH = 7.4) -1.3255228 
Log P 1.4020343  Molar Refractivity 32.7598 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)
Boiling Point
108-110 °C(lit.) expand Show data source
Flash Point
13 °C expand Show data source
55.4 °F expand Show data source
Density
0.717 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.4085(lit.) expand Show data source
RTECS
EO4460000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2379 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
2 expand Show data source
Risk Statements
11-22-34 expand Show data source
Safety Statements
16-26-36/37/39-45 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 expand Show data source
GHS Precautionary statements
P210-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 2379 3/PG 2 expand Show data source
Purity
98% expand Show data source
Linear Formula
(CH3)2CHCH2CH(CH3)NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 126411 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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