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107-85-7 molecular structure
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3-methylbutan-1-amine

ChemBase ID: 76267
Molecular Formular: C5H13N
Molecular Mass: 87.16342
Monoisotopic Mass: 87.10479942
SMILES and InChIs

SMILES:
NCCC(C)C
Canonical SMILES:
NCCC(C)C
InChI:
InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
InChIKey:
BMFVGAAISNGQNM-UHFFFAOYSA-N

Cite this record

CBID:76267 http://www.chembase.cn/molecule-76267.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methylbutan-1-amine
IUPAC Traditional name
isoamylamine
Synonyms
3-Methylbutylamine
Isoamylamine
1-Amino-3-methylbutane
Isopentylamine
Isopentylamine
ISOAMYLAMINE, REAGENT GRADE
1-氨基-3-甲基丁烷
异戊胺
异戊胺
异戊酰胺
CAS Number
107-85-7
EC Number
203-526-0
MDL Number
MFCD00008203
Beilstein Number
1209230
Merck Index
145112
PubChem SID
24847744
162041174
24901560
24881308
PubChem CID
7894
FEMA ID
3219
Council of Europe Number
512
Flavis Number
11.001

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0383701  LogD (pH = 7.4) -1.6139905 
Log P 0.98545927  Molar Refractivity 28.341 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 Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
-60°C expand Show data source
-60°C expand Show data source
Boiling Point
95°C expand Show data source
95-97 °C(lit.) expand Show data source
95-97°C expand Show data source
95-97°C expand Show data source
Flash Point
-1 °C expand Show data source
-1°C expand Show data source
-1°C(30°F) expand Show data source
30.2 °F expand Show data source
Density
0.749 g/ml expand Show data source
0.751 expand Show data source
0.751 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4080 expand Show data source
n20/D 1.408 expand Show data source
n20/D 1.408(lit.) expand Show data source
Organoleptic
vanilla expand Show data source
Storage Warning
Air Sensitive expand Show data source
Highly Flammable/Corrosive/Harmful/Air Sensitive/Store under Argon 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
1106 expand Show data source
UN1106 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 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
R:34 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
S:26-27/28-36/37/39-46-64 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-H301-H314-H318 expand Show data source
GHS Precautionary statements
P210-P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A 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 1106 3/PG 2 expand Show data source
Allergens
no known allergens, no known allergens expand Show data source
Purity
≥98% expand Show data source
≥98.0% (GC) expand Show data source
99% expand Show data source
Grade
Halal expand Show data source
NI expand Show data source
purum expand Show data source
REAGENT expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(CH3)2CHCH2CH2NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich MP Biomedicals MP Biomedicals
Sigma Aldrich - W321907 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
4 kg in steel drum
Sigma Aldrich - 126810 external link
Packaging
10, 100 g in glass bottle
MP Biomedicals - 05211835 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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