4-Ethynyl-N,N-dimethylaniline

• CAS: 17573-94-3
• Catalog Number: ACM17573943
• Category: Alkynes
• Molecular Weight: 145.21
• Molecular Formula: C10H11N
• Synonyms: 4-Dimethylaminophenylacetylene
• IUPAC Name: 4-ethynyl-N,N-dimethylaniline
• Canonical SMILES: CN(C)C1=CC=C(C=C1)C#C
• InChI: InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3
• InChI Key: ZWMAYLMVFSCMMS-UHFFFAOYSA-N
• Melting Point: 51 °C
• Density: Air Sensitive
• Appearance: White to Light yellow to Dark green powder to crystal
• Storage: Store under inert gas
• Complexity: 155
• Covalently-Bonded Unit Count: 1
• Exact Mass: 145.089149g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 11
• MDL Number: MFCD00168816
• Monoisotopic Mass: 145.089149g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 2
• Signal Word: Warning
• Symbol: GHS07
• XLogP3: 2.7

Custom Q&A

What is the molecular weight of 4-Ethynyl-N,N-dimethylaniline?

The molecular weight of 4-Ethynyl-N,N-dimethylaniline is 145.20 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-ethynyl-N,N-dimethylaniline.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3.

What is the InChIKey of the compound?

The InChIKey of the compound is ZWMAYLMVFSCMMS-UHFFFAOYSA-N.

What is the canonical SMILES representation of the compound?

The canonical SMILES representation of the compound is CN(C)C1=CC=C(C=C1)C#C.

What is the CAS number of 4-Ethynyl-N,N-dimethylaniline?

The CAS number of 4-Ethynyl-N,N-dimethylaniline is 17573-94-3.

What is the molecular formula of 4-Ethynyl-N,N-dimethylaniline?

The molecular formula of 4-Ethynyl-N,N-dimethylaniline is C10H11N.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 2.7.

How many hydrogen bond donor atoms are there in the compound?

There are 0 hydrogen bond donor atoms in the compound.

How many rotatable bonds are there in the compound?

There are 2 rotatable bonds in the compound.