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6310-21-0 molecular structure
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2-tert-butylaniline

ChemBase ID: 146673
Molecular Formular: C10H15N
Molecular Mass: 149.2328
Monoisotopic Mass: 149.12044949
SMILES and InChIs

SMILES:
CC(C)(C)c1ccccc1N
Canonical SMILES:
Nc1ccccc1C(C)(C)C
InChI:
InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3
InChIKey:
AEIOZWYBDBVCGW-UHFFFAOYSA-N

Cite this record

CBID:146673 http://www.chembase.cn/molecule-146673.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-tert-butylaniline
IUPAC Traditional name
2-tert-butylaniline
Synonyms
2-tert-Butylaniline
2-叔丁基苯胺
CAS Number
6310-21-0
EC Number
228-634-5
MDL Number
MFCD00130023
PubChem SID
162240866
24862299
PubChem CID
80574

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
362220 external link Add to cart Please log in.
Data Source Data ID
PubChem 80574 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.665867  LogD (pH = 7.4) 2.6890721 
Log P 2.689376  Molar Refractivity 49.4243 cm3
Polarizability 18.80181 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
-60 °C(lit.) expand Show data source
Boiling Point
123-124 °C/17 mmHg(lit.) expand Show data source
Flash Point
102 °C expand Show data source
215.6 °F expand Show data source
Density
0.957 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.545(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
98% expand Show data source
Linear Formula
(CH3)3CC6H4NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 362220 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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