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25419-06-1 molecular structure
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methyl(pentyl)amine

ChemBase ID: 90411
Molecular Formular: C6H15N
Molecular Mass: 101.19
Monoisotopic Mass: 101.12044949
SMILES and InChIs

SMILES:
N(CCCCC)C
Canonical SMILES:
CCCCCNC
InChI:
InChI=1S/C6H15N/c1-3-4-5-6-7-2/h7H,3-6H2,1-2H3
InChIKey:
UOIWOHLIGKIYFE-UHFFFAOYSA-N

Cite this record

CBID:90411 http://www.chembase.cn/molecule-90411.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl(pentyl)amine
IUPAC Traditional name
methyl(pentyl)amine
Synonyms
N-Methylpentan-1-amine
N-Methylpentylamine
N-Methylpentylamine
N-Amylmethylamine
N-Methylamylamine
N-甲基正戊胺
N-甲基戊胺
CAS Number
25419-06-1
EC Number
246-966-9
MDL Number
MFCD00041354
Beilstein Number
1731333
PubChem SID
162077221
24872691
PubChem CID
117479

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 117479 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6596471  LogD (pH = 7.4) -1.3142751 
Log P 1.5755892  Molar Refractivity 33.168 cm3
Polarizability 13.342089 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)
Boiling Point
116-118 °C(lit.) expand Show data source
117-119°C expand Show data source
117-119°C expand Show data source
Flash Point
12 °C expand Show data source
18°C expand Show data source
18°C(64°F) expand Show data source
53.6 °F expand Show data source
Density
0.738 expand Show data source
0.738 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4105 expand Show data source
n20/D 1.41(lit.) expand Show data source
Storage Warning
Flammable/Corrosive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2924 expand Show data source
UN2733 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
II expand Show data source
Risk Statements
11-22-34 expand Show data source
11-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H301-H314 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-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 2924 3/PG 2 expand Show data source
Purity
98% expand Show data source
Linear Formula
CH3(CH2)4NHCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 496138 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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