N-((2H-1,3-Benzodioxol-5-yl)methyl)propan-2-amine
Completing data — refresh the page later to see the latest
Basic information
- CAS
68291-92-9- Standard SMILES
CC(C)NCc1ccc2c(c1)OCO2- InChIKey
WHKUSTNUIKQFLL-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- N-((2H-1,3-Benzodioxol-5-yl)methyl)propan-2-amine
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine
- English name
- AKOS B023217
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
68291-92-9DTXSID90299643N-((2H-1,3-Benzodioxol-5-yl)methyl)propan-2-amineN-[(2H-1,3-Benzodioxol-5-yl)methyl]propan-2-amineRefChem:1090679DTXCID80206189N-(1,3-benzodioxol-5-ylmethyl)propan-2-amineN-(Benzo[d][1,3]dioxol-5-ylmethyl)propan-2-amineMFCD02040873(1,3-BENZODIOXOL-5-YLMETHYL)ISOPROPYLAMINE[(1,3-dioxaindan-5-yl)methyl](propan-2-yl)amine[(2H-1,3-benzodioxol-5-yl)methyl](propan-2-yl)amine
Show more names
AKOS B023217CHEMBRDG-BB 5572794ART-CHEM-BB B023217TIMTEC-BB SBB009636UKRORGSYN-BB BBV-164851BENZO[1,3]DIOXOL-5-YLMETHYL-ISOPROPYL-AMINE1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-(1,3-benzodioxol-5-ylmethyl)isopropylamine(SALTDATA: HCl)
N-(benzo[1,3]dioxol-5-ylmethyl)propan-2-amineNSC131714Oprea1_091698Oprea1_486352SCHEMBL1099886HMS1672K16BBL018616STK145624
Database identifiers
- CAS
68291-92-9- PubChem CID
- 280251
- DTXSID
DTXSID90299643
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 0.6 Torr)
- Density
- 1.1 · 1.100±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.628 · 9.628±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…