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6299-02-1 molecular structure
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1-(4-chlorophenyl)ethan-1-amine

ChemBase ID: 10675
Molecular Formular: C8H10ClN
Molecular Mass: 155.6247
Monoisotopic Mass: 155.05017701
SMILES and InChIs

SMILES:
c1(ccc(cc1)Cl)C(N)C
Canonical SMILES:
CC(c1ccc(cc1)Cl)N
InChI:
InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
InChIKey:
PINPOEWMCLFRRB-UHFFFAOYSA-N

Cite this record

CBID:10675 http://www.chembase.cn/molecule-10675.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-chlorophenyl)ethan-1-amine
IUPAC Traditional name
1-(4-chlorophenyl)ethanamine
Synonyms
1-(4-Chlorophenyl)ethylamine
1-(4-Chlorophenyl)ethylamine
1-(4-Chlorophenyl)ethylamine
4-Chloro-alpha-methylbenzylamine 90%
1-(4-氯苯基)乙胺
CAS Number
6299-02-1
EC Number
228-576-0
MDL Number
MFCD00044766
PubChem SID
160973982
24879062
PubChem CID
97803

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 97803 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8830049  LogD (pH = 7.4) -0.084540226 
Log P 2.119634  Molar Refractivity 43.755 cm3
Polarizability 17.394707 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
119°C/20mm expand Show data source
Flash Point
102 °C expand Show data source
102.8°C expand Show data source
215.6 °F expand Show data source
Density
1.08 expand Show data source
1.080 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.543(lit.) expand Show data source
Storage Warning
Corrosive expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 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
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
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 2735 8/PG 2 expand Show data source
Purity
97% expand Show data source
Linear Formula
ClC6H4CH(NH2)CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 549142 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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