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96-15-1 molecular structure
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2-methylbutan-1-amine

ChemBase ID: 85749
Molecular Formular: C5H13N
Molecular Mass: 87.16342
Monoisotopic Mass: 87.10479942
SMILES and InChIs

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

Cite this record

CBID:85749 http://www.chembase.cn/molecule-85749.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylbutan-1-amine
IUPAC Traditional name
2-methylbutan-1-amine
Synonyms
1-AMINO-2-METHYLBUTANE
1-Amino-2-methylbutane
2-Methylbutylamine
(±)-1-Amino-2-methylbutane
(2-Methylbutyl)amine
(±)-1-氨基-2-甲基丁烷
(2-甲基丁基)胺
CAS Number
96-15-1
EC Number
202-483-5
MDL Number
MFCD00008147
Beilstein Number
1718806
PubChem SID
24853176
162072865
PubChem CID
7283

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9610455  LogD (pH = 7.4) -1.5551931 
Log P 1.063413  Molar Refractivity 28.264 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
94-97 °C(lit.) expand Show data source
95-96°C expand Show data source
Flash Point
46.4 °F expand Show data source
8 °C expand Show data source
8°C expand Show data source
Density
0.738 g/mL at 25 °C(lit.) expand Show data source
0.757 expand Show data source
Refractive Index
n20/D 1.4116(lit.) expand Show data source
Storage Warning
Highly 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
2733 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
Risk Statements
11-20/21/22-34 expand Show data source
R:34 expand Show data source
Safety Statements
16-23-26-36-36/37/39-45 expand Show data source
S:26-27/28-36/37/39-46-64 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-H312-H314-H332 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 2733 3/PG 2 expand Show data source
Purity
≥97% expand Show data source
95% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3CH2CH(CH3)CH2NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05201403 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 220523 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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