N-(2-Methylbut-3-yn-2-yl)aniline

HCID 345768

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Basic information

CAS: 7471-09-2
Standard SMILES: C#CC(C)(C)Nc1ccccc1
InChIKey: REHYMUARMNSKGV-UHFFFAOYSA-N
Molecular formula: C11H13N
Average molar mass: 159.23 g/mol
Monoisotopic mass: 159.10479942

Names & identifiers

Preferred name: N-(2-Methylbut-3-yn-2-yl)aniline
IUPAC: N-(2-methylbut-3-yn-2-yl)aniline
English name: (1,1-DIMETHYL-PROP-2-YNYL)-PHENYL-AMINE
Molecular formula: C11H13N
Molecular weight: 159.22762

Names & synonyms

7471-09-2N-(2-methylbut-3-yn-2-yl)anilineDTXSID40323301RefChem:360909DTXCID402744203-methyl-3-phenylamino-1-butyne(1,1-DIMETHYL-PROP-2-YNYL)-PHENYL-AMINEN-(2-Methyl-3-butyn-2-yl)anilineNSC403542SCHEMBL6336580REHYMUARMNSKGV-UHFFFAOYSA-N3-methyl-3-phenylamino-1 -butyne

Show more names

MFCD098335912-methyl-3-butyn-2-yl(phenyl)amineN-[3,3-dimethylpropyn-3-yl]AnilineAKOS006237629NSC-403542SY316510

Database identifiers

CAS: 7471-09-2
PubChem CID: 345768
DTXSID: DTXSID40323301
Nikkaji: J768.012K

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 178

Physicochemical properties

form: solid
color: Orange

Chemistry & industry

Applications · 1 item

Uses3-Methyl-3-phenylamino-1-butyne is an intermediate in the synthesis of Endophenazine A which is a new phenazine antibiotic isolated from the arthropod associated endosymbiont Streptomyces anulatus and shows antimicrobial activities against Gram-positive bacteria and some filamentous fungi, and herbicidal activity against Lemna minor (duckweed).