Basic information
- CAS
63991-03-7- Standard SMILES
C#CC(C)NCc1ccccc1- InChIKey
DRBAJMGSRKIURK-UHFFFAOYSA-N- Molecular formula
- C11H13N
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.10479942
Names & identifiers
- Preferred name
- N-Benzylbut-3-yn-2-amine
- IUPAC
- N-benzylbut-3-yn-2-amine
- English name
- N-(1-Methyl-2-propynyl)benzylamine
- Molecular formula
- C11H13N
- Molecular weight
- 159.23
Names & synonyms
N-benzylbut-3-yn-2-amine63991-03-7DTXSID50981799RefChem:1091616DTXCID701409068BRN 2360324N-3-(1-Butynyl)-benzylamineBENZYLAMINE, N-3-(1-BUTYNYL)-N-(1-methyl-2-propynyl)benzylamine3-12-00-02215 (Beilstein Handbook Reference)SCHEMBL1716115AKOS026732594
Show more names
DP227500Benzenemethanamine, N-(1-methyl-2-propyn-1-yl)-
DB-308438
Database identifiers
- CAS
63991-03-7- PubChem CID
- 46219
- DTXSID
DTXSID50981799- Nikkaji
- J69.054F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 110 · 110-112 °C(Press: 20 Torr)
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
- pka
- 7.07 · 7.07±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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