2-Ethynyl-4-methylaniline

HCID 640759
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Basic information

CAS
215589-37-0
Standard SMILES
C#Cc1cc(C)ccc1N
InChIKey
VCOACWPANOYCBP-UHFFFAOYSA-N
Molecular formula
C9H9N
Average molar mass
131.17 g/mol
Monoisotopic mass
131.07349929

Names & identifiers

Preferred name
2-Ethynyl-4-methylaniline
IUPAC
2-ethynyl-4-methylaniline
English name
Benzenamine, 2-ethynyl-4-methyl- (9CI)
Molecular formula
C9H9N
Molecular weight
131.17

Names & synonyms

2-ethynyl-4-methylaniline215589-37-0DTXSID50348803benzenamine, 2-ethynyl-4-methyl-RefChem:260748DTXCID40299875InChI=1/C9H9N/c1-3-8-6-7(2)4-5-9(8)10/h1,4-6H,10H2,2HMFCD110364392-Amino-5-methylphenylacetylene2-ethynyl-4-methylbenzenamineSCHEMBL12225260AKOS005073445
Show more names
2-Ethynyl-4-methylaniline - [E51676]Benzenamine, 2-ethynyl-4-methyl- (9CI)
MD-0015CS-0158574C740532-ethynyl-4-methyl-anilineA9122602-ethynyl-4-methylphenylamineSBB085785F045993

Database identifiers

CAS
215589-37-0
PubChem CID
640759
DTXSID
DTXSID50348803
EC Number
108-823-8
Nikkaji
J1.659.260I

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Boiling point
241.8 · 241.8±33.0 °C(Predicted)
Density
1.03 · 1.03±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
form
solid
pka
2.44 · 2.44±0.10(Predicted)
InChI
1S/C9H9N/c1-3-8-6-7(2)4-5-9(8)10/h1,4-6H,10H2,2H3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

wgk
WGK 3
risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers25 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070

Related reactions

1 records
New reaction record

Compound notes

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