N,N-Di-2-propyn-1-ylbenzenamine
Basic information
- CAS
18158-68-4- Standard SMILES
C#CCN(CC#C)c1ccccc1- InChIKey
ONOQPVMGQVXXQD-UHFFFAOYSA-N- Molecular formula
- C12H11N
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.08914936
Names & identifiers
- Preferred name
- N,N-Di-2-propyn-1-ylbenzenamine
- IUPAC
- N,N-bis(prop-2-ynyl)aniline
- English name
- N,N-Dipropargylaniline
- Molecular weight
- 0
Names & synonyms
N,N-DipropargylanilineANILINE, N,N-DI-2-PROPYNYL-18158-68-4Benzenamine, N,N-di-2-propynyl-DTXSID80171166RefChem:1090400DTXCID8093657N,N-Di-2-propyn-1-ylbenzenamineDipropargylphenylamineN,N-Di-2-propynylanilineNSC-202906N,N-bis(prop-2-ynyl)aniline
Show more names
N,N-Di(2-propynyl)benzenamine
NSC 202906BRN 2717680N,N-di(prop-2-yn-1-yl)anilineNSC202906N,N-dipropargyl anilineAniline,N-di-2-propynyl-SCHEMBL978318Benzenamine,N-di-2-propynyl-
Database identifiers
- CAS
18158-68-4- PubChem CID
- 28926
- DTXSID
DTXSID80171166- UNII
- 5MS6R4H427
- Nikkaji
- J55.225I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- FDA UNII
- 5 MS6R4H427 · 5MS6R4H427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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