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34985-37-0 molecular structure
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3-methylbutan-2-amine

ChemBase ID: 89657
Molecular Formular: C5H13N
Molecular Mass: 87.16342
Monoisotopic Mass: 87.10479942
SMILES and InChIs

SMILES:
NC(C)C(C)C
Canonical SMILES:
CC(C(C)C)N
InChI:
InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
InChIKey:
JOZZAIIGWFLONA-UHFFFAOYSA-N

Cite this record

CBID:89657 http://www.chembase.cn/molecule-89657.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methylbutan-2-amine
IUPAC Traditional name
3-methyl-2-butanamine
Synonyms
1,2-Dimethylpropylamine
1,2-dimethylpropylamine
(+/-)-3-Methyl-2-butylamine
(+/-)-1,2-Dimethylpropylamine
(±)-2-Amino-3-methylbutane
1,2-Dimethylpropylamine
2-Amino-3-methylbutane
1,2-二甲基丙胺
(±)-2-氨基-3-甲基丁烷
CAS Number
34985-37-0
598-74-3
EC Number
209-949-7
MDL Number
MFCD00008081
Beilstein Number
635656
PubChem SID
24851417
162076520
PubChem CID
11731

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9927242  LogD (pH = 7.4) -1.7157242 
Log P 1.0354193  Molar Refractivity 28.0818 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)
Melting Point
-50 °C(lit.) expand Show data source
-50°C expand Show data source
-50°C expand Show data source
-51 - -50°C expand Show data source
Boiling Point
84-87 °C(lit.) expand Show data source
84-87°C expand Show data source
84-87°C expand Show data source
Flash Point
-18.4 °F expand Show data source
-28 °C expand Show data source
-28°C(-18°F) expand Show data source
Density
0.757 expand Show data source
0.757 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
Hydrophobicity(logP)
1.102 expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
UI1100000 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
3286 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
11-20/21/22-34 expand Show data source
11-21/22-34 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
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H312-H314 expand Show data source
H225-H311-H302-H332-H314-H318 expand Show data source
GHS Precautionary statements
P210-P280-P305 + P351 + P338-P310 expand Show data source
P210-P280-P305+P351+P338-P309-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 3286 3/PG 2 expand Show data source
Purity
≥98% expand Show data source
95% expand Show data source
98+% expand Show data source
Linear Formula
(CH3)2CHCH(CH3)NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 190187 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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