Benzenemethanamine, 4-methoxy-N-propyl-
Basic information
- CAS
90390-02-6- Standard SMILES
CCCNCc1ccc(OC)cc1- InChIKey
NCOFJPJEQIGDEV-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- Benzenemethanamine, 4-methoxy-N-propyl-
- IUPAC
- N-[(4-methoxyphenyl)methyl]propan-1-amine
- English name
- N-(4-methoxybenzyl)-N-propylamine
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
90390-02-6Benzenemethanamine, 4-methoxy-N-propyl-DTXSID70238131RefChem:324763DTXCID90160622N-(4-Methoxybenzyl)propan-1-amine[(4-METHOXYPHENYL)METHYL](PROPYL)AMINEN-[(4-methoxyphenyl)methyl]propan-1-amine(4-methoxybenzyl)propylamineMFCD074059824-methoxy-N-propylbenzylamineSCHEMBL4030406
Show more names
Aids107191Aids-107191UKRORGSYN-BB BBV-075385N-(4-methoxybenzyl)-N-propylamineN-(4-METHOXYPHENYLMETHYL)PROPYLAMINE(4-methoxybenzyl)propylamine(SALTDATA: HCl)
SCHEMBL88511764-Methoxy-N-n-propylbenzylamineCHEMBL1178153SCHEMBL27721717QDA38969AKOS000183672EN300-32180C78567
Database identifiers
- CAS
90390-02-6- PubChem CID
- 485408
- DTXSID
DTXSID70238131- ChEMBL
CHEMBL1178153- Nikkaji
- J896.531E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 1.0 Torr)
- Density
- 0.953 · 0.953±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 10.17 · 10.17±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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