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616-24-0 molecular structure
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pentan-3-amine

ChemBase ID: 74473
Molecular Formular: C5H13N
Molecular Mass: 87.16342
Monoisotopic Mass: 87.10479942
SMILES and InChIs

SMILES:
NC(CC)CC
Canonical SMILES:
CCC(CC)N
InChI:
InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3
InChIKey:
PQPFFKCJENSZKL-UHFFFAOYSA-N

Cite this record

CBID:74473 http://www.chembase.cn/molecule-74473.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pentan-3-amine
IUPAC Traditional name
3-pentanamine
Synonyms
3-Aminopentane
3-Aminopentane
1-Ethylpropylamine
3-Amylamine
1-Ethylpropylamine
3-Aminopentane
3-氨基戊烷
3-戊胺
3-戊基胺
CAS Number
616-24-0
EC Number
210-471-6
MDL Number
MFCD00008096
Beilstein Number
635658
PubChem SID
162039392
24851418
PubChem CID
12019

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8351722  LogD (pH = 7.4) -1.5580716 
Log P 1.1929688  Molar Refractivity 28.1342 cm3
Polarizability 11.495053 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
89-91 °C(lit.) expand Show data source
89-91°C expand Show data source
89-91°C°C expand Show data source
Flash Point
2 °C expand Show data source
2°C°C expand Show data source
2°C(35°F) expand Show data source
35.6 °F expand Show data source
Density
0.748 expand Show data source
0.748 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4055 expand Show data source
n20/D 1.4055(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
Highly Flammable/Corrosive 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
2733 expand Show data source
UN1106 expand Show data source
MSDS Link
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
II expand Show data source
Risk Statements
11-20/21/22-34 expand Show data source
11-34 expand Show data source
Safety Statements
16-26-27-36/37/39-45 expand Show data source
16-26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H314 expand Show data source
H225-H314-H318-H302-H312-H332 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 2733 3/PG 2 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(C2H5)2CHNH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05213469 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 190195 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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